SCHEMBL9716610

SCHEMBL9716610

CCCCOC(=O)N(C(=O)OCCCC)C(CCCCN)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
CPB2 Q96IY4 4/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
EPOR P19235 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
ATM Q13315 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
GPR84 Q9NQS5 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
SCHEMBL9716606 1.00 GSR (0.39) GSRRNPEPCPB2ALDH1A1MAPT
SCHEMBL9716798 0.95 ALDH1A1 (0.38) GSRCPB2ALDH1A1MAPTGRIK1
SCHEMBL9716802 0.95 ALDH1A1 (0.38) GSRCPB2ALDH1A1MAPTGRIK1
SCHEMBL16862534 0.89 ALDH1A1 (0.35) GSRCPB2ALDH1A1MAPTGRIK1
SCHEMBL9716597 0.86 CPB2 (0.46) GSRRNPEPCPB2ALDH1A1MAPT
SCHEMBL9716594 0.86 CPB2 (0.46) GSRRNPEPCPB2ALDH1A1MAPT
SCHEMBL3826716 0.83 ALDH1A1 (0.49) ALDH1A1EPORITGB3ITGA2B
SCHEMBL1170168 0.82 GSR (0.36) GSRRNPEPCPB2ALDH1A1MAPT
SCHEMBL15208668 0.82 CPB2 (0.38) GSRRNPEPCPB2EPOR
SCHEMBL9716651 0.81 CYP1A2 (0.42) GSRRNPEPCPB2ALDH1A1SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed