SCHEMBL13645006

SCHEMBL13645006

COc1ccc(N(CC(=O)O)CC(=O)NC2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.61
▸ MAPT P10636 1/20 0.57
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ EPHX1 P07099 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ GBA1 P04062 1/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ USP2 O75604 1/20 0.51

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
SCHEMBL13644981 0.85 NPC1 (0.57) EPHX2NPC1RAB9AEPHX1ALDH1A1
SCHEMBL13645004 0.84 EPHX2 (0.57) EPHX2HPGDNPC1RAB9AEPHX1
SCHEMBL13644982 0.84 RAB9A (0.51) EPHX2NPC1RAB9AEPHX1ALDH1A1
SCHEMBL13603802 0.83 EPHX1 (0.45) EPHX2HPGDNPC1RAB9AEPHX1
SCHEMBL340292 0.80 KEAP1 (0.59) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL13681071 0.80 EPHX1 (0.55) EPHX2MAPTEPHX1ALDH1A1POLB
SCHEMBL13644985 0.79 CNR1 (0.44) EPHX2NPC1RAB9AEPHX1ALDH1A1
SCHEMBL13645023 0.79 KEAP1 (0.50) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL13603913 0.78 ALDH1A1 (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13645015 0.77 NPSR1 (0.60) NPC1RAB9APOLBTSHRKMT2A

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-20090246700-A1 PLATE-MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 — — US disclosed
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