SCHEMBL11046434

SCHEMBL11046434

CC1=CC(C(=O)c2ccc(C(=O)C3=CCC(=O)C(C)=C3)cc2)=CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
SRD5A2 P31213 2/20 0.34
MAPT P10636 4/20 0.31
HPGD P15428 3/20 0.31
HTT P42858 3/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ELANE P08246 1/20 0.31
KMT2A Q03164 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
AKR1C3 P42330 1/20 0.30

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
SCHEMBL10613587 0.79
SCHEMBL10620246 0.76 ALDH1A1 (0.32) ALDH1A1GAA
SCHEMBL13113266 0.66
SCHEMBL783100 0.62
SCHEMBL13557089 0.61 ALDH1A1 (0.65) ALDH1A1LMNASRD5A2HPGDHTT
SCHEMBL8526909 0.60
SCHEMBL13576316 0.58 ALDH1A1 (0.52) ALDH1A1LMNASRD5A2MAPTHPGD
SCHEMBL822185 0.58 ALDH1A1 (1.00) ALDH1A1LMNASRD5A2MAPTHPGD
SCHEMBL52200 0.58 ALDH1A1 (1.00) ALDH1A1LMNASRD5A2MAPTHPGD
SCHEMBL29171476 0.57 CES2 (0.52) ALDH1A1LMNAMAPTHPGDHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026991-B1 AROMATIC POLYESTER AND FILAMENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-21 EP claimed
EP-0026991-A1 Aromatic polyester and filaments E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-04-15 EP claimed
EP-0026991-B1 AROMATIC POLYESTER AND FILAMENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-21 EP disclosed