SCHEMBL10693603

SCHEMBL10693603

C=CCc1ccccc1NC(=O)COC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
ALDH1A1 P00352 2/20 0.57
HSD17B10 Q99714 1/20 0.57
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 5/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10694565 0.84 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2
SCHEMBL4207495 0.81 HDAC3 (0.48) SMN1; SMN2ALDH1A1HSD17B10HPGDMAPT
SCHEMBL30026550 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1HSD17B10HPGDMAPT
SCHEMBL10940633 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1HSD17B10HPGDMAPT
SCHEMBL10692302 0.79 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1HSD17B10HPGDMAPT
SCHEMBL7796358 0.79 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2
SCHEMBL10692445 0.78 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2
SCHEMBL10690890 0.77 HDAC3 (0.49) SMN1; SMN2ALDH1A1HPGDMAPTNPC1
SCHEMBL28756536 0.76 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1HSD17B10HPGDMAPT
SCHEMBL10991297 0.76 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2

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-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP claimed