SCHEMBL8907475

SCHEMBL8907475

C=CCOC(=O)c1ccc(OCC(O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1OCOCCOC

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
CYP26A1 O43174 1/20 0.52
CYP26B1 Q9NR63 1/20 0.52
RARG P13631 13/20 0.46
RARA P10276 4/20 0.43
RARB P10826 4/20 0.43
PPARG P37231 4/20 0.39
RXRA P19793 1/20 0.33

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
SCHEMBL9271838 0.86 CYP26A1 (0.64) CYP3A4CYP26A1CYP26B1RARGRARA
SCHEMBL8907898 0.74 CYP26A1 (0.69) CYP3A4CYP26A1CYP26B1RARGRARA
SCHEMBL8907954 0.72 RARG (0.44) CYP3A4CYP26A1CYP26B1RARGRARA
SCHEMBL5084222 0.72 CYP3A4 (0.63) CYP3A4CYP26A1CYP26B1RARGRARA
SCHEMBL5084218 0.71 CYP26A1 (0.67) CYP3A4CYP26A1CYP26B1RARGRARA
SCHEMBL8909052 0.70 CYP3A4 (0.55) CYP3A4CYP26A1CYP26B1RARGRARA
SCHEMBL8907823 0.70 CYP3A4 (0.60) CYP3A4CYP26A1CYP26B1RARGRARA
SCHEMBL5084224 0.70 CYP26A1 (0.72) CYP3A4CYP26A1CYP26B1RARGRARA
SCHEMBL9270229 0.70 RARG (0.62) CYP3A4CYP26A1CYP26B1RARGRARA
SCHEMBL9196412 0.70 CYP3A4 (0.62) CYP3A4CYP26A1CYP26B1RARGRARA

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