SCHEMBL177286

SCHEMBL177286

Cc1ccc(C(=O)O)cc1NC(=O)[C@H](N)CCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.62
▸ LNPEP Q9UIQ6 4/20 0.50
▸ SELL P14151 2/20 0.48
▸ SELP P16109 2/20 0.48
▸ SELE P16581 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ ERAP2 Q6P179 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ S1PR1 P21453 1/20 0.46
▸ S1PR3 Q99500 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPC1 O15118 1/20 0.43

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
SCHEMBL177287 1.00 CASR (0.62) CASRLNPEPSELLSELPSELE
SCHEMBL2523349 0.82 CASR (0.65) CASRSELLSELPSELEALDH1A1
SCHEMBL7902676 0.77 LTA4H (0.60) ALDH1A1S1PR1S1PR3
SCHEMBL14426473 0.77 SELL (0.65) CASRSELLSELPSELEALDH1A1
SCHEMBL11038421 0.77 LTA4H (0.60) ALDH1A1S1PR1S1PR3
SCHEMBL14471910 0.76 CASR (1.00) CASRSELLSELPALDH1A1MEN1
SCHEMBL11037758 0.76 CASR (0.56) CASRALDH1A1MEN1KMT2AS1PR1
SCHEMBL11037760 0.76 CASR (0.56) CASRALDH1A1MEN1KMT2AS1PR1
SCHEMBL14426833 0.75 SELL (0.62) CASRSELLSELPSELEMEN1
SCHEMBL9335895 0.75 CASR (0.43) CASRLNPEPERAP2MAPK1

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-2345636-A1 CASR AGONIST Ajinomoto Co., Inc. (JP) 2011-07-20 — — EP disclosed
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