SCHEMBL7345124

SCHEMBL7345124

COC(=O)C(CN)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MGAM O43451 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MME P08473 1/20 0.36
CA14 Q9ULX7 2/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
PTPRB P23467 1/20 0.34
KMT2A Q03164 2/20 0.33
CA12 O43570 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL2496265 0.90 MME (0.42) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL3693114 0.85 CA12 (0.38) SMN1; SMN2GAACA1CA2MME
SCHEMBL3693112 0.85 CA12 (0.38) SMN1; SMN2GAACA1CA2MME
SCHEMBL28989082 0.85 ACHE (0.35) SMN1; SMN2MMETSHRALDH1A1
Hydrochloric Acid SCHEMBL5083094 0.83 CA12 (0.37) SMN1; SMN2GAACA1CA2CA14
Hydrochloric Acid SCHEMBL5083097 0.83 CA12 (0.37) SMN1; SMN2GAACA1CA2CA14
SCHEMBL3288838 0.80 MEN1 (0.36) SMN1; SMN2MMETSHRKMT2A
SCHEMBL1627445 0.78
SCHEMBL11652293 0.77 SMN1; SMN2 (0.46) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL11652425 0.77 SMN1; SMN2 (0.46) SMN1; SMN2MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542708-B1 Substituted beta-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2001-05-30 EP disclosed
US-5973003-A TREATMENT OF THROMBOSIS, STROKE, MYOCARDIAL INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS G. D. SEARLE & CO. (US) 1999-10-26 US disclosed
US-5703125-A MELT BLEND OF SOAP, SURFACTANT AND SOLVENT G. D. SEARLE & CO. (US) 1997-12-30 US disclosed
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP disclosed
EP-0614360-A1 SUBSTITUTED -g(b)-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1994-09-14 EP disclosed
US-5344957-A Amidinoiphenyl-substituted G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
US-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 US disclosed
EP-0542708-A1 Substituted B-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-05-19 EP disclosed
WO-1993007867-A1 SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed