SCHEMBL110606

SCHEMBL110606

Cc1ccc(C(=O)c2ccc(C(=O)O)cc2)c(C)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 8/20 0.50
ALDH1A1 P00352 3/20 0.47
AKR1C3 P42330 2/20 0.47
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
CDC25B P30305 2/20 0.41
CDC25A P30304 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28379551 0.81 AKR1C3 (0.48) ALDH1A1AKR1C3KDM4EHSD17B10
SCHEMBL109656 0.81 SRD5A2 (0.57) SRD5A2ALDH1A1AKR1C3RARARARB
SCHEMBL195882 0.81 CYP1A2 (0.44) ALDH1A1AKR1C3TDP1CYP2C9KDM4E
SCHEMBL2233681 0.79 SRD5A2 (0.61) SRD5A2ALDH1A1AKR1C3RARARARB
SCHEMBL9249101 0.79 HAAO (0.42) ALDH1A1AKR1C3TDP1CYP2C9KDM4E
Ammonia Solution, Strong SCHEMBL28622226 0.79 HAAO (0.42) ALDH1A1AKR1C3TDP1CYP2C9KDM4E
Water SCHEMBL27552128 0.79 HAAO (0.42) ALDH1A1AKR1C3TDP1CYP2C9KDM4E
SCHEMBL9408349 0.79 HAAO (0.42) ALDH1A1AKR1C3TDP1CYP2C9KDM4E
SCHEMBL11056557 0.79 AKR1C3 (0.61) SRD5A2ALDH1A1AKR1C3SMN1; SMN2TDP1
SCHEMBL11227044 0.76 AKR1C3 (0.57) SRD5A2ALDH1A1AKR1C3CYP2C8CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 265 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051780-A1 COPOLYESTERS HAVING REPEAT UNITS DERIVED FROM w-HYDROXY FATTY ACIDS SYNTHEZYME LLC (US) 2014-02-20 US claimed
US-20130131222-A1 POLYURETHANE POLYMERS COMPRISING COPOLYESTER POLYOLS HAVING REPEAT UNITS DERIVED FROM BIOBASED HYDROXYFATTY ACIDS SYNTHEZYME LLC (US) 2013-05-23 US claimed
EP-2545093-A2 POLYURETHANE POLYMERS COMPRISING COPOLYESTER POLYOLS HAVING REPEAT UNITS DERIVED FROM BIOBASED -HYDROXYFATTY ACIDS Synthezyme LLC (US) 2013-01-16 EP claimed
EP-2536776-A2 COPOLYESTERS HAVING REPEAT UNITS DERIVED FROM -HYDROXY FATTY ACIDS Synthezyme LLC (US) 2012-12-26 EP claimed
EP-1789470-B1 COPOLYETHERESTER COMPOSITIONS CONTAINING HYDROXYALKANOIC ACIDS AND SHAPED ARTICLES PRODUCED THEREFROM DU PONT (US) 2012-10-31 EP claimed
EP-1789471-B1 SULFONATED COPOLYETHERESTER COMPOSITIONS FROM HYDROXYALKANOIC ACIDS AND SHAPED ARTICLES PRODUCED THEREFROM DU PONT (US) 2012-10-24 EP claimed
EP-1648953-B1 SULFONATED ALIPHATIC-AROMATIC COPOLYESTERS AND SHAPED ARTICLES PRODUCED THEREFROM DU PONT (US) 2011-10-05 EP claimed
WO-2011112923-A2 POLYURETHANE POLYMERS COMPRISING COPOLYESTER POLYOLS HAVING REPEAT UNITS DERIVED FROM BIOBASED ω-HYDROXYFATTY ACIDS SYNTHEZYME LLC (US) 2011-09-15 WO claimed
WO-2011103193-A2 COPOLYESTERS HAVING REPEAT UNITS DERIVED FROM ω-HYDROXY FATTY ACIDS SYNTHEZYME LLC (US) 2011-08-25 WO claimed
US-20110097530-A1 Non-sulfonated Aliphatic-Aromatic Polyesters, and Articles Made Therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-04-28 US claimed
US-20060009610-A1 Sulfonated copolyetherester compositions from hydroxyalkanoic acids and shaped articles produced therefrom E. I. DU PONT DE NEMOURS AND COMPANY 2006-01-12 US claimed
US-20050208291-A1 Biodegradable aliphatic-aromatic copolyester films KIMBERLY-CLARK WORLDWIDE, INC. 2005-09-22 US claimed
US-20050208294-A1 Absorbent articles having an aliphatic-aromatic copolyester film KIMBERLY-CLARK WORLDWIDE, INC. 2005-09-22 US claimed
WO-2005075538-A1 ALIPHATIC-AROMATIC POLYESTERS, AND ARTICLES MADE THEREFROM E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-08-18 WO claimed
US-20050171250-A1 Aliphatic-aromatic polyesters, and articles made therefrom DUPONT INDUSTRIAL BIOSCIENCES USA, LLC 2005-08-04 US claimed
WO-2005012390-A1 SULFONATED ALIPHATIC-AROMATIC COPOLYESTERS AND SHAPED ARTICLES PRODUCED THEREFROM E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-02-10 WO claimed
US-20050027098-A1 Sulfonated aliphatic-aromatic copolyesters and shaped articles produced therefrom DUPONT POLYMERS, INC. 2005-02-03 US claimed
US-20040254332-A1 ALIPHATIC-AROMATIC POLYETHERESTER COMPOSITIONS, ARTICLES, FILMS, COATING AND LAMINATES AND PROCESSES FOR PRODUCING SAME DUPONT INDUSTRIAL BIOSCIENCES USA, LLC 2004-12-16 US claimed
US-6818730-B2 Process to produce polyesters which incorporate isosorbide E. I. DU PONT DE NEMOURS AND COMPANY 2004-11-16 US claimed
US-20030204029-A1 Process to produce polyesters which incorporate isosorbide E. I. DU PONT DE NEMOURS AND COMPANY 2003-10-30 US claimed