SCHEMBL9716737

SCHEMBL9716737

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 1/20 0.38
ADRA2C P18825 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
SRD5A2 P31213 1/20 0.35
KIF11 P52732 4/20 0.35
GSK3B P49841 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
SCHEMBL9716660 0.96 F2 (0.42) ALDH1A1SMN1; SMN2F2ADRA2CKMT2A
SCHEMBL9716685 0.87 SLC7A5 (0.39) F2ADRA2CNPC1RAB9ALMNA
SCHEMBL9716674 0.87 SLC7A5 (0.39) F2ADRA2CNPC1RAB9ALMNA
SCHEMBL9716649 0.87 ADRA2C (0.38) F2ADRA2CNPC1RAB9ALMNA
SCHEMBL9716633 0.87 ADRA2C (0.38) F2ADRA2CNPC1RAB9ALMNA
SCHEMBL15484293 0.86 ADRA2C (0.50) ALDH1A1F2ADRA2C
SCHEMBL9716684 0.86 ADRA2C (0.50) ALDH1A1F2ADRA2C
SCHEMBL9716679 0.86 ADRA2C (0.50) ALDH1A1F2ADRA2C
SCHEMBL9716611 0.82 F2 (0.40) F2ADRA2CNPC1RAB9A
SCHEMBL9716619 0.82 F2 (0.40) F2ADRA2CNPC1RAB9A

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 1 patent. 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