SCHEMBL8909052

SCHEMBL8909052

COCCOCOc1cc(OCC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)ccc1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.55
CYP26A1 O43174 5/20 0.54
CYP26B1 Q9NR63 2/20 0.54
RARG P13631 10/20 0.50
RARA P10276 1/20 0.50
RARB P10826 1/20 0.50
PPARG P37231 3/20 0.41
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8907967 0.85 CYP26A1 (0.56) CYP3A4CYP26A1CYP26B1RARGRARA
SCHEMBL8907584 0.84 CYP3A4 (0.61) CYP3A4CYP26A1CYP26B1PPARGNPC1
SCHEMBL8907955 0.79 RARG (0.42) CYP3A4CYP26A1CYP26B1RARGRARA
SCHEMBL9270229 0.77 RARG (0.62) CYP3A4CYP26A1CYP26B1RARGRARA
SCHEMBL8907954 0.77 RARG (0.44) CYP3A4CYP26A1CYP26B1RARGRARA
SCHEMBL8907772 0.76 PARP15 (0.50) PPARGNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8907597 0.73 MAOB (0.49) CYP3A4CYP26A1CYP26B1RARBNPC1
SCHEMBL5419894 0.73 CYP3A4 (0.62) CYP3A4CYP26A1CYP26B1RARGRARA
SCHEMBL8907762 0.73 L3MBTL1 (0.49) CYP3A4CYP26A1CYP26B1NPC1MAPT
SCHEMBL8908796 0.73 CYP3A4 (0.75) 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