SCHEMBL8907801

SCHEMBL8907801

CC(=O)OC(COc1ccc(C(=O)OCc2ccccc2)c(O)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP26B1 Q9NR63 1/20 0.45
MAOB P27338 3/20 0.44
TDP1 Q9NUW8 2/20 0.41
PPARG P37231 4/20 0.40
MAOA P21397 1/20 0.37
LMNA P02545 1/20 0.37
RARA P10276 4/20 0.37
RARB P10826 4/20 0.37
RARG P13631 4/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8907526 0.91 CYP3A4 (0.43) CYP26A1CYP3A4CYP26B1MAOBTDP1
SCHEMBL5078196 0.88 CYP26A1 (0.53) CYP26A1CYP3A4CYP26B1MAOBPPARG
SCHEMBL8909342 0.88 CYP3A4 (0.43) CYP26A1CYP3A4CYP26B1MAOBTDP1
SCHEMBL8908148 0.87 TDP1 (0.42) CYP26A1CYP3A4CYP26B1MAOBTDP1
SCHEMBL8907823 0.87 CYP3A4 (0.60) CYP26A1CYP3A4CYP26B1MAOBTDP1
SCHEMBL8907780 0.86 CYP3A4 (0.47) CYP26A1CYP3A4CYP26B1MAOBTDP1
SCHEMBL9263958 0.82 MAOB (0.51) CYP26A1CYP3A4CYP26B1MAOBTDP1
SCHEMBL8839385 0.80 TDP1 (0.50) CYP3A4MAOBTDP1MAOALMNA
SCHEMBL5080269 0.79 CYP26A1 (0.51) CYP26A1CYP3A4CYP26B1PPARGRARA
SCHEMBL8907584 0.78 CYP3A4 (0.61) CYP26A1CYP3A4CYP26B1MAOBTDP1

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