SCHEMBL8428596

SCHEMBL8428596

COCCOCOc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.87
RARA P10276 3/20 0.87
HDAC11 Q96DB2 3/20 0.46
HDAC2 Q92769 1/20 0.46
RARB P10826 2/20 0.44
RARG P13631 1/20 0.44
ABCG2 Q9UNQ0 3/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
MAOB P27338 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL8424476 0.94 IKBKB (0.77) IKBKBRARAHDAC11HDAC2RARB
SCHEMBL6570378 0.93 RARA (1.00) IKBKBRARAHDAC11HDAC2RARB
SCHEMBL6535785 0.93 RARA (1.00) IKBKBRARAHDAC11HDAC2RARB
SCHEMBL8428584 0.90 IKBKB (0.81) IKBKBRARAHDAC11HDAC2RARB
SCHEMBL8647517 0.87 RARA (0.77) IKBKBRARAHDAC11HDAC2RARB
SCHEMBL29999156 0.86 RARA (0.88) IKBKBRARAHDAC11HDAC2RARB
SCHEMBL8433283 0.86 RARA (0.87) IKBKBRARAHDAC11HDAC2RARB
SCHEMBL8428598 0.85 RARA (0.64) IKBKBRARAHDAC11HDAC2RARB
SCHEMBL5888199 0.84 RARA (0.63) IKBKBRARAHDAC11HDAC2RARB
SCHEMBL8426814 0.84 RARA (0.84) IKBKBRARAHDAC11HDAC2RARB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776885-B1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CIRD GALDERMA (FR) 1999-10-27 EP claimed
EP-0776885-A1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-06-04 EP claimed
EP-0776885-B1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CIRD GALDERMA (FR) 1999-10-27 EP disclosed
EP-0776885-A1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-06-04 EP disclosed