SCHEMBL8907763

SCHEMBL8907763

COc1cc2c(cc1C(=O)COc1ccc(C(=O)O)c(O)c1)C(C)(C)CCC2(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.53
CYP3A4 P08684 2/20 0.49
CYP26A1 O43174 1/20 0.49
CYP26B1 Q9NR63 1/20 0.49
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 1/20 0.48
HNF4A P41235 3/20 0.46
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
RARG P13631 2/20 0.43
RARB P10826 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
RARA P10276 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL8908720 0.90 CYP3A4 (0.54) RXRACYP3A4CYP26A1CYP26B1NPC1
SCHEMBL8907762 0.87 L3MBTL1 (0.49) RXRACYP3A4CYP26A1CYP26B1NPC1
SCHEMBL9269947 0.84 RXRA (0.49) RXRACYP3A4CYP26A1CYP26B1HNF4A
SCHEMBL5184246 0.82 CYP26A1 (0.74) RXRACYP3A4CYP26A1CYP26B1RARG
SCHEMBL8908240 0.80 CYP26A1 (0.48) RXRACYP3A4CYP26A1CYP26B1HNF4A
SCHEMBL9262524 0.79 RXRA (0.48) RXRACYP3A4CYP26A1CYP26B1HNF4A
SCHEMBL8704549 0.78 RXRA (0.71) RXRACYP26A1CYP26B1KMT2AHNF4A
SCHEMBL8907597 0.76 MAOB (0.49) RXRACYP3A4CYP26A1CYP26B1NPC1
SCHEMBL8907781 0.75 MAOB (0.53) RXRACYP3A4CYP26A1CYP26B1MAPT
SCHEMBL9194990 0.75 RARG (0.52) RXRACYP3A4CYP26A1CYP26B1RAB9A

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 2 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 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