SCHEMBL17692570

SCHEMBL17692570

CNC(=O)c1ccc(C(=O)NC(C)COCC(C)C)c2c(C(=O)O)ccc(C(=O)O)c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ BRD4 O60885 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ MTNR1A P48039 3/20 0.34
▸ MTNR1B P49286 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL17692573 0.95 MEN1 (0.35) MEN1KMT2AHPGDKDM4EHSD17B10
SCHEMBL17692571 0.86 XDH (0.38) MEN1KMT2AHPGDKDM4EHSD17B10
SCHEMBL17692576 0.84 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL17481741 0.77 ALDH1A1 (0.34) MEN1KMT2AHPGDKDM4EHSD17B10
SCHEMBL12021877 0.76 CYP1A2 (0.64) KMT2AHPGDHSD17B10CYP1A2BRD4
SCHEMBL4959993 0.76 CYP1A2 (0.64) KMT2AHPGDHSD17B10CYP1A2BRD4
SCHEMBL823142 0.76 CYP1A2 (0.64) KMT2AHPGDHSD17B10CYP1A2BRD4
SCHEMBL12142354 0.74 RAB9A (0.47) MEN1KMT2AHPGDKDM4EHSD17B10
SCHEMBL30195119 0.72 MEN1 (0.54) MEN1KMT2AKDM4ECYP1A2ALDH1A1
SCHEMBL11520918 0.70 CYP1A2 (0.54) KMT2AHSD17B10CYP1A2BRD4ALDH1A1

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-20160111626-A1 FLEXIBLE CONDUCTIVE MATERIAL AND TRANSDUCER SUMITOMO RIKO COMPANY LIMITED (JP) 2016-04-21 — — US disclosed
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