SCHEMBL10692647

SCHEMBL10692647

CC(=O)OCC(=O)Nc1ccccc1Cc1ccc(C)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.66
ALDH1A1 P00352 2/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.50
MAPT P10636 4/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
HPGD P15428 3/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL7796358 0.91 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL10689596 0.88 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL10691781 0.88 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL10693527 0.87 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL9167530 0.82 L3MBTL1 (0.56) SMN1; SMN2ALDH1A1L3MBTL1HPGDLMNA
SCHEMBL10694565 0.82 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1HSD17B10MAPTRAB9A
SCHEMBL10694549 0.80 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL4237601 0.80 L3MBTL1 (0.62) SMN1; SMN2ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL28756536 0.80 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1HSD17B10MAPTRAB9A
SCHEMBL10692445 0.78 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HSD17B10L3MBTL1MAPT

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