SCHEMBL8433283

SCHEMBL8433283

COCCOCOc1cc(C(=O)C=Cc2ccc(C(=O)O)cc2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.87
IKBKB O14920 4/20 0.87
RARG P13631 9/20 0.47
RARB P10826 4/20 0.47
HDAC11 Q96DB2 2/20 0.42
HDAC2 Q92769 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
XDH P47989 1/20 0.40

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
SCHEMBL6535785 0.93 RARA (1.00) RARAIKBKBRARGRARBHDAC11
SCHEMBL6570378 0.93 RARA (1.00) RARAIKBKBRARGRARBHDAC11
SCHEMBL8433867 0.91 RARA (0.74) RARAIKBKBRARGRARB
SCHEMBL8397886 0.88 RARA (0.66) RARAIKBKBRARGRARB
SCHEMBL29999156 0.86 RARA (0.88) RARAIKBKBRARGRARBHDAC11
SCHEMBL8434108 0.86 RARA (0.66) RARAIKBKBRARGRARB
SCHEMBL8431874 0.86 RARA (0.66) RARAIKBKBRARGRARB
SCHEMBL8428596 0.86 IKBKB (0.87) RARAIKBKBRARGRARBHDAC11
SCHEMBL5887966 0.85 RARA (0.83) RARAIKBKBRARGRARBHDAC11
SCHEMBL8431943 0.85 RARA (0.64) RARAIKBKBRARGRARBHDAC11

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
EP-0776881-B1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CIRD GALDERMA (FR) 1999-12-08 EP disclosed
EP-0776881-A1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-06-04 EP disclosed