SCHEMBL8424845

SCHEMBL8424845

CCOC(OC)Oc1ccc(C(=O)N(C)c2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.46
RARB P10826 8/20 0.46
RARG P13631 8/20 0.46
PGR P06401 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
HSPD1 P10809 1/20 0.43
GOT1 P17174 1/20 0.43
GLRA1 P23415 1/20 0.43
BLM P54132 1/20 0.43
HSPE1 P61604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
IKBKB O14920 4/20 0.42
CYP26B1 Q9NR63 1/20 0.37
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL5888168 0.89 RARB (0.53) RARARARBRARGPGRMEN1
SCHEMBL8428491 0.84 RARB (0.48) RARARARBRARGPGRMEN1
SCHEMBL8424419 0.83 RARA (0.46) RARARARBRARGPGRMEN1
SCHEMBL8428679 0.83 RARA (0.47) RARARARBRARGPGRMEN1
SCHEMBL8694759 0.83 RARA (0.44) RARARARBRARGPGRMEN1
SCHEMBL5887965 0.83 RARA (0.57) RARARARBRARGPGRMEN1
SCHEMBL8617711 0.83 RARA (0.48) RARARARBRARGPGRMEN1
SCHEMBL5887936 0.82 RARA (0.71) RARARARBRARGPGRMEN1
SCHEMBL8424430 0.82 RARA (0.49) RARARARBRARGPGRMEN1
SCHEMBL5888260 0.82 RARA (0.71) RARARARBRARGPGRMEN1

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
US-5786379-A Adamantyl-substituted biaromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-07-28 US claimed
US-5786379-A Adamantyl-substituted biaromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-07-28 US disclosed