SCHEMBL8424465

SCHEMBL8424465

COc1ccc(CSc2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.59
RARB P10826 6/20 0.59
RARG P13631 6/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NR1I2 O75469 1/20 0.58
LMNA P02545 1/20 0.58
PGR P06401 1/20 0.58
HSPD1 P10809 1/20 0.58
GOT1 P17174 1/20 0.58
GLRA1 P23415 1/20 0.58
BLM P54132 1/20 0.58
HSPE1 P61604 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
S1PR1 P21453 1/20 0.49
IKBKB O14920 3/20 0.45
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
HDAC11 Q96DB2 2/20 0.43
HDAC2 Q92769 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
SCHEMBL8426342 0.95 RARA (0.60) RARARARBRARGMEN1KMT2A
SCHEMBL8693782 0.91 RARA (0.49) RARARARBRARGMEN1KMT2A
SCHEMBL8997645 0.85 RARA (0.64) RARARARBRARGMEN1KMT2A
SCHEMBL8693609 0.85 RARA (0.50) RARARARBRARGMEN1KMT2A
SCHEMBL6570369 0.82 S1PR1 (0.71) RARARARBRARGMEN1KMT2A
SCHEMBL1082340 0.81 RARA (0.77) RARARARBRARGMEN1KMT2A
SCHEMBL565789 0.81 RARA (0.77) RARARARBRARGMEN1KMT2A
SCHEMBL5078203 0.81 RARA (0.65) RARARARBRARGMEN1KMT2A
SCHEMBL8692323 0.81 RARA (0.48) RARARARBRARGMEN1KMT2A
SCHEMBL8426086 0.81 RARA (0.57) RARARARBRARGMEN1KMT2A

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-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-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