SCHEMBL9716660

SCHEMBL9716660

Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2)[C@@H](CCCCN)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.42
GSR P00390 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RNPEP Q9H4A4 1/20 0.37
CPB2 Q96IY4 2/20 0.36
ADRA2C P18825 1/20 0.36
EPOR P19235 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
KIF11 P52732 1/20 0.34
CES2 O00748 2/20 0.34
CES1 P23141 2/20 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
SCHEMBL9716737 0.96 ALDH1A1 (0.38) F2ALDH1A1SMN1; SMN2ADRA2CKMT2A
SCHEMBL9716611 0.87 F2 (0.40) F2GSRRNPEPCPB2ADRA2C
SCHEMBL9716619 0.87 F2 (0.40) F2GSRRNPEPCPB2ADRA2C
SCHEMBL9716819 0.87 F2 (0.40) F2GSRRNPEPCPB2ADRA2C
SCHEMBL9716829 0.87 F2 (0.40) F2GSRRNPEPCPB2ADRA2C
SCHEMBL9716623 0.87 F2 (0.50) F2GSRRNPEPCPB2ADRA2C
SCHEMBL1387992 0.87 F2 (0.50) F2GSRRNPEPCPB2ADRA2C
SCHEMBL7321837 0.87 F2 (0.50) F2GSRRNPEPCPB2ADRA2C
SCHEMBL9716633 0.82 ADRA2C (0.38) F2GSRRNPEPCPB2ADRA2C
SCHEMBL9716649 0.82 ADRA2C (0.38) F2GSRRNPEPCPB2ADRA2C

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