SCHEMBL6557827

SCHEMBL6557827

COc1ccc2c(c1)C(=O)C(CC(=O)O)=C2c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.62
PTGS1 P23219 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PTPN1 P18031 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
GSTP1 P09211 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40

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
SCHEMBL6555666 0.89 PPARG (0.76) PPARGPTGS1AKR1C3AKR1C2PTPN1
SCHEMBL6555686 0.81 FGFR1 (0.59) PPARGPTPN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8196679 0.78 CDK4 (0.50) PPARGSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4658483 0.70 PPARG (0.73) PPARGPTPN1SMN1; SMN2KDM4EALDH1A1
Propionic Acid SCHEMBL7100623 0.69 CYP1A2 (0.68) PPARGPTGS1AKR1C3AKR1C2KDM4E
SCHEMBL6340096 0.69 ME2 (0.73) SMN1; SMN2KDM4EALDH1A1HPGDGSTP1
SCHEMBL9890648 0.67 HSD17B10 (0.62) PPARGPTGS1AKR1C3AKR1C2SMN1; SMN2
Acetic Acid SCHEMBL7099991 0.67 CYP1A2 (0.76) PTGS1AKR1C3AKR1C2SMN1; SMN2KDM4E
SCHEMBL25041887 0.67 CYP1A2 (0.83) CYP11B1CYP11B2SMN1; SMN2KDM4EALDH1A1
SCHEMBL3572575 0.67 PPARG (1.00) PPARGSMN1; SMN2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958288-B1 PHOTOCHROMIC NAPHTOPYRANE COLORANTS, METHOD FOR THE PRODUCTION AND USE THEREOF, PHOTOCHROMIC OBJECT RODENSTOCK GMBH (DE) 2004-03-03 EP disclosed
US-6146554-A FOR PHOTOCHROMIC PLASTIC LENSES IN MASS-DYEING PROCESSES OPTISCHE WERKE G. RODENSTOCK (DE) 2000-11-14 US disclosed
EP-0958288-A1 PHOTOCHROMIC NAPHTOPYRANE COLORANTS, METHOD FOR THE PRODUCTION AND USE THEREOF, PHOTOCHROMIC OBJECT Optische Werke G. Rodenstock (DE) 1999-11-24 EP disclosed
WO-1999015518-A1 PHOTOCHROMIC NAPHTOPYRANE COLORANTS, METHOD FOR THE PRODUCTION AND USE THEREOF, PHOTOCHROMIC OBJECT OPTISCHE WERKE G. RODENSTOCK (DE) 1999-04-01 WO disclosed