SCHEMBL8434728

SCHEMBL8434728

COCCOCOc1cc(C(=O)Nc2ccc(C(=O)O)cc2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.60
IKBKB O14920 5/20 0.60
RARG P13631 9/20 0.48
RARB P10826 3/20 0.47
CYP26A1 O43174 2/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL8426173 0.93 RARA (0.70) RARAIKBKBRARGRARBCYP26A1
SCHEMBL8397886 0.90 RARA (0.66) RARAIKBKBRARGRARBMEN1
SCHEMBL8394253 0.87 IKBKB (0.49) RARAIKBKBRARGALDH1A1MAPK1
SCHEMBL8431717 0.86 RARA (0.61) RARAIKBKBRARGRARBMEN1
SCHEMBL8432432 0.86 RARA (0.61) RARAIKBKBRARGRARBCYP26A1
SCHEMBL8434724 0.85 RARA (0.44) RARAIKBKBRARGRARBCYP26A1
SCHEMBL8433279 0.85 RARA (0.62) RARAIKBKBRARGRARBCYP26A1
SCHEMBL8424422 0.84 RARA (0.67) RARAIKBKBRARGRARBMEN1
SCHEMBL8437028 0.84 RARA (0.49) RARAIKBKBRARGRARBCYP26A1
SCHEMBL8436677 0.84 RARA (0.59) RARAIKBKBRARGRARBMEN1

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 3 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 claimed
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