SCHEMBL8907967

SCHEMBL8907967

CC(=O)Oc1cc(OCC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)ccc1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 7/20 0.56
CYP3A4 P08684 6/20 0.56
CYP26B1 Q9NR63 4/20 0.56
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RXRA P19793 6/20 0.39
RXRB P28702 4/20 0.39
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
RXRG P48443 3/20 0.39
HNF4A P41235 2/20 0.39
PPARG P37231 2/20 0.38
MAOB P27338 1/20 0.38
RARA P10276 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
SCHEMBL8907584 0.88 CYP3A4 (0.61) CYP26A1CYP3A4CYP26B1MAPK1RXRA
SCHEMBL8909052 0.85 CYP3A4 (0.55) CYP26A1CYP3A4CYP26B1MAPTRARB
SCHEMBL8907526 0.81 CYP3A4 (0.43) CYP26A1CYP3A4CYP26B1MAPTMAPK1
SCHEMBL8907772 0.77 PARP15 (0.50) MAPTRXRAPPARGMAOB
SCHEMBL14371955 0.77 CYP26A1 (0.68) CYP26A1CYP3A4CYP26B1MAPTMAPK1
SCHEMBL5419894 0.77 CYP3A4 (0.62) CYP26A1CYP3A4CYP26B1MAPTMAPK1
SCHEMBL8907597 0.77 MAOB (0.49) CYP26A1CYP3A4CYP26B1MAPTMAPK1
SCHEMBL8839385 0.76 TDP1 (0.50) CYP3A4MAPTMAPK1RXRAMAOB
SCHEMBL14371956 0.76 CYP3A4 (0.67) CYP26A1CYP3A4CYP26B1MAPK1RXRA
SCHEMBL5184246 0.76 CYP26A1 (0.74) CYP26A1CYP3A4CYP26B1RXRARXRB

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