SCHEMBL7622174

SCHEMBL7622174

CC(C)(C)OC(=O)CN1CC[C@@H](O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.47
PLA2G5 P39877 2/20 0.47
ACE P12821 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7622170 1.00 PLA2G10 (0.47) PLA2G10PLA2G5ACEF2F10
SCHEMBL7617915 0.83 PLA2G10 (0.46) PLA2G10PLA2G5ACEF2F10
SCHEMBL7617920 0.83 PLA2G10 (0.46) PLA2G10PLA2G5ACEF2F10
SCHEMBL20488361 0.79 PLA2G10 (0.43) PLA2G10PLA2G5ACEF2F10
SCHEMBL7619656 0.79 PLA2G10 (0.43) PLA2G10PLA2G5ACEKDM4EALDH1A1
SCHEMBL7619661 0.79 PLA2G10 (0.43) PLA2G10PLA2G5ACEKDM4EALDH1A1
SCHEMBL10691419 0.77 PLA2G10 (0.43) PLA2G10PLA2G5ACEF2F10
SCHEMBL10954499 0.77 PLA2G10 (0.43) PLA2G10PLA2G5ACEF2F10
SCHEMBL6282329 0.76 PLA2G10 (0.47) PLA2G10PLA2G5KDM4EALDH1A1SCN9A
SCHEMBL10914619 0.76 PLA2G10 (0.43) PLA2G10PLA2G5ACEF2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620225-B1 Cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2002-11-13 EP disclosed
US-5523400-A 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1996-06-04 US disclosed
EP-0620225-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-10-19 EP disclosed