SCHEMBL8907630

SCHEMBL8907630

COc1ccc(C(O)COc2ccc(C(=O)O)c(O)c2)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 1/20 0.38
MAPT P10636 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL8907483 0.89 CYP26A1 (0.42) ALDH1A1GAARARBRARGCYP3A4
SCHEMBL8907735 0.85 MAOB (0.40) CYP3A4CYP26A1CYP26B1
SCHEMBL28911910 0.81 CYP3A4 (0.49) CYP19A1ALDH1A1CYP3A4CYP26A1CYP26B1
SCHEMBL8839113 0.78 RARA (0.47) ALDH1A1GAARARARARBRARG
SCHEMBL6535745 0.77 RARA (0.47) CYP19A1RARARARBRARGCYP3A4
SCHEMBL5084224 0.74 CYP26A1 (0.72) RARARARBRARGCYP3A4CYP26A1
SCHEMBL8908240 0.72 CYP26A1 (0.48) RARARARBRARGCYP3A4CYP26A1
SCHEMBL8907898 0.70 CYP26A1 (0.69) RARARARBRARGCYP3A4CYP26A1
SCHEMBL8839094 0.70 RARA (0.46) ALDH1A1GAARARARARBRARG
SCHEMBL8874204 0.69 MAOB (0.53) MAPT

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
US-5654331-A SKIN AND RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-08-05 US claimed
EP-0514264-B1 Biaromatic compounds derived from compounds having a salicylic configuration, their preparation process and their use in human and veterinary medicine and in cosmetics CIRD GALDERMA (FR) 1995-11-15 EP claimed
US-5654331-A SKIN AND RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-08-05 US disclosed
US-5476860-A Diaromatic compounds derived from a salicylic unit and their use in human and veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD GALDERMA) (FR) 1995-12-19 US disclosed