SCHEMBL8874247

SCHEMBL8874247

COc1ccc(C(=O)OC(C)c2ccc(CO)cc2)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.45
RARB P10826 2/20 0.45
RARG P13631 2/20 0.45
NR1H4 Q96RI1 2/20 0.38
EPHX2 P34913 1/20 0.38
WDR5 P61964 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 2/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
S1PR1 P21453 1/20 0.36
PRKCA P17252 2/20 0.36
PRKCD Q05655 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 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
SCHEMBL8839085 0.81 RARA (0.48) RARARARBRARGNR1H4EPHX2
SCHEMBL8874249 0.79 MAPT (0.48) RARARARBRARGNR1H4EPHX2
SCHEMBL9285428 0.78 RARA (0.50) RARARARBRARGNR1H4EPHX2
SCHEMBL5027170 0.74 MAPT (0.58) RARARARBRARGWDR5ALDH1A1
SCHEMBL10204755 0.73 CYP3A4 (0.47) RARARARBRARGNR1H4EPHX2
SCHEMBL14453806 0.72 KMT2A (0.50) NR1H4EPHX2ALDH1A1MAPTCA1
SCHEMBL7940070 0.72 RARA (0.49) RARARARBRARGWDR5ALDH1A1
SCHEMBL8766130 0.72 RARA (0.73) RARARARBRARGNR1H4EPHX2
SCHEMBL8766137 0.72 RARA (0.73) RARARARBRARGNR1H4EPHX2
SCHEMBL8839343 0.72 MEN1 (0.56) RARARARBRARGALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597839-A TREATMENT OF SKIN DISORDERS OR ANTIINFLAMMATORY AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-01-28 US disclosed