SCHEMBL5196145

SCHEMBL5196145

COC(=O)CC(=O)NCC(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TSHR P16473 3/20 0.39
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 3/20 0.38
RECQL P46063 2/20 0.38
HSD17B10 Q99714 2/20 0.36
TET2 Q6N021 1/20 0.34
HPGD P15428 3/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL24258920 0.80 RECQL (0.55) GAATSHRALDH1A1RECQLHPGD
SCHEMBL13744668 0.78 HPGD (0.41) TSHRALDH1A1HPGDKMT2A
SCHEMBL15834107 0.78 HPGD (0.41) TSHRALDH1A1HPGDKMT2A
SCHEMBL13744709 0.78 HPGD (0.41) TSHRALDH1A1HPGDKMT2A
SCHEMBL2414558 0.77 ALDH1A1 (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL15903262 0.77 ALDH1A1 (0.54) ALDH1A1HPGDCYP2D6CYP2C19
SCHEMBL28893763 0.76 ALDH1A1 (0.43) TSHRALDH1A1RECQLHPGDCYP2D6
SCHEMBL21185861 0.76 ALDH1A1 (0.39) GAAALDH1A1HPGDCYP2D6CYP2C19
SCHEMBL13956184 0.75 KDM4E (0.47) MGAMGAASIMGAM2TSHR
SCHEMBL10614591 0.75

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
EP-1813603-A1 AROMATIC AMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICAL USES OF BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP disclosed