SCHEMBL8907483

SCHEMBL8907483

CC(C)(C)c1cc(C(O)COc2ccc(C(=O)O)c(O)c2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP26B1 Q9NR63 1/20 0.42
NR1H4 Q96RI1 2/20 0.40
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESRRA P11474 1/20 0.39
MAOB P27338 1/20 0.39
XDH P47989 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8907735 0.89 MAOB (0.40) CYP26A1CYP3A4CYP26B1MAOBXDH
SCHEMBL8907630 0.89 CYP19A1 (0.46) CYP26A1CYP3A4CYP26B1GAAALDH1A1
SCHEMBL28911910 0.79 CYP3A4 (0.49) CYP26A1CYP3A4CYP26B1ATML3MBTL1
SCHEMBL5084224 0.77 CYP26A1 (0.72) CYP26A1CYP3A4CYP26B1MAOBRARB
SCHEMBL8908927 0.74 CYP3A4 (0.55) CYP26A1CYP3A4CYP26B1RARBRARG
SCHEMBL8874204 0.73 MAOB (0.53) L3MBTL1MAOBXDHMAPT
SCHEMBL3294782 0.72 TSHR (0.48) CYP3A4GAANPSR1MAOBALDH1A1
SCHEMBL4411088 0.71 ALDH1A1 (0.50) CYP3A4GAAMAOBXDHALDH1A1
SCHEMBL4653417 0.71 MAOB (0.42) MAOBXDHALDH1A1
SCHEMBL8839042 0.70 NPC1 (0.45) NPSR1MAOBXDHMAPT

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