SCHEMBL6555666

SCHEMBL6555666

COc1ccc2c(c1)C(=O)C(CC(=O)O)=C2c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.76
PTPN1 P18031 4/20 0.52
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
HSD17B10 Q99714 1/20 0.43
PTGS1 P23219 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL6557827 0.89 PPARG (0.62) PPARGPTPN1ALDH1A1KDM4EHPGD
SCHEMBL6555686 0.86 FGFR1 (0.59) PPARGPTPN1ALDH1A1TDP1KDM4E
SCHEMBL4658483 0.80 PPARG (0.73) PPARGPTPN1ALDH1A1TDP1KDM4E
SCHEMBL3572575 0.76 PPARG (1.00) PPARGALDH1A1TDP1KDM4EHPGD
SCHEMBL8196679 0.76 CDK4 (0.50) PPARGALDH1A1TDP1KDM4EHPGD
SCHEMBL9890648 0.75 HSD17B10 (0.62) PPARGKDM4ESMN1; SMN2HSD17B10PTGS1
SCHEMBL7099074 0.74 HSP90AA1 (0.53) PTPN1ALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL13316091 0.71 PPARG (0.74) PPARGALDH1A1TDP1
SCHEMBL13316094 0.71 PPARG (0.74) PPARGALDH1A1TDP1
SCHEMBL8235983 0.71 ALKBH3 (0.68) PPARGPTPN1ALDH1A1SMN1; SMN2ESR1

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 6 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
EP-0987260-B1 Photochromic spirofluorenopyrans RODENSTOCK GMBH (DE) 2004-03-03 EP disclosed
US-6331625-B1 EYEGLASS LENSES; RAPID COLOR AND BRIGHTNESS ADJUSTMENT OPTISCHE WERKE G. RODENSTOCK (DE) 2001-12-18 US disclosed
US-6225466-B1 FOR ARTICLES MADE OF SYNTHETIC RESIN MATERIALS; RAPID DARKENING AND BRIGHTENING RATES, DURABILITY OPTISCHE WERKE G. RODENSTOCK (DE) 2001-05-01 US disclosed
US-6146554-A FOR PHOTOCHROMIC PLASTIC LENSES IN MASS-DYEING PROCESSES OPTISCHE WERKE G. RODENSTOCK (DE) 2000-11-14 US disclosed
EP-0987260-A1 Photochromic spirofluorenopyrans Optische Werke G. Rodenstock (DE) 2000-03-22 EP disclosed