SCHEMBL8087948

SCHEMBL8087948

CCOc1ccc(C(=O)Oc2ccc(C(=O)O)c(F)c2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.43
RARB P10826 5/20 0.43
RARG P13631 4/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
PGR P06401 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 2/20 0.42
PPARG P37231 4/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
S1PR1 P21453 1/20 0.40
RXRA P19793 1/20 0.38

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
SCHEMBL6571365 0.89 RARA (0.55) RARARARBRARGKMT2ALMNA
SCHEMBL9126386 0.80 RARA (0.58) RARARARBRARGKMT2ALMNA
SCHEMBL5084769 0.79 RARA (0.57) RARARARBRARGKMT2ALMNA
SCHEMBL5081692 0.79 RARA (0.56) RARARARBRARGKMT2ALMNA
SCHEMBL9123398 0.78 RARA (0.53) RARARARBRARGKMT2ALMNA
SCHEMBL9163061 0.78 RARB (0.50) RARARARBRARGKMT2ALMNA
SCHEMBL9128314 0.78 RARA (0.45) RARARARBRARGKMT2ALMNA
SCHEMBL9160119 0.77 RARA (0.52) RARARARBRARGKMT2ALMNA
SCHEMBL5078191 0.76 RARA (0.67) RARARARBRARGKMT2ALMNA
SCHEMBL9127200 0.75 RARA (0.57) RARARARBRARGKMT2ALMNA

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
JP-2000515506-A 2000-11-21 JP claimed
EP-0920312-A4 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS GALDERMA RES & DEV (FR) 2000-11-02 EP claimed
EP-0920312-A1 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS Galderma Research & Development (FR) 1999-06-09 EP claimed
WO-1998001132-A1 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-15 WO claimed