SCHEMBL4286192

SCHEMBL4286192

COC(=O)C(C)C(O)c1ccc(Nc2ccc3ccccc3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 14/20 0.62
▸ CYP3A4 P08684 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ RECQL P46063 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ UGT2B7 P16662 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
SCHEMBL13573934 1.00 CYP26A1 (0.62) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL13573939 1.00 CYP26A1 (0.62) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4279149 0.88 CYP3A4 (0.56) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4276636 0.77 CYP26A1 (1.00) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL16344079 0.76 ALDH1A1 (0.68) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL9683887 0.76 KMT2A (0.60) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL11073226 0.76 KMT2A (0.60) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL4284732 0.76 CYP26A1 (0.64) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL454293 0.73 RECQL (0.58) CYP26A1CYP1A2CYP2C19ALDH1A1RECQL
SCHEMBL454294 0.73 RECQL (0.58) CYP26A1CYP1A2CYP2C19ALDH1A1RECQL

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
WO-2009153566-A1 CYP26 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-12-23 — — WO disclosed
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