SCHEMBL9510307

SCHEMBL9510307

CC(=O)OCC(=O)Nc1cccc(N(C)C(=O)COC(C)=O)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.39
NLRP3 Q96P20 1/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.37
IMPDH2 P12268 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL9510278 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL9510386 0.85 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL9510654 0.85 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL10433739 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL9510256 0.80 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL9510325 0.79 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL9510267 0.78 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL9510328 0.78 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL9510244 0.75 MEN1 (0.53) SMN1; SMN2ALDH1A1HSD17B10GAAPOLB
SCHEMBL9511330 0.73 NPSR1 (0.51) SMN1; SMN2ALDH1A1GAAUSP2POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0382216-B1 Novel substituted acetamide compounds TOYO BOSEKI (JP) 1993-10-20 EP claimed
US-5041462-A Novel substituted acetamide compounds and use as anti-allergic agents TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-08-20 US claimed
EP-0382216-A1 Novel substituted acetamide compounds Toyo Boseki Kabushiki Kaisha (JP) 1990-08-16 EP claimed
EP-0382216-B1 Novel substituted acetamide compounds TOYO BOSEKI (JP) 1993-10-20 EP disclosed
US-5041462-A Novel substituted acetamide compounds and use as anti-allergic agents TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-08-20 US disclosed
EP-0382216-A1 Novel substituted acetamide compounds Toyo Boseki Kabushiki Kaisha (JP) 1990-08-16 EP disclosed