SCHEMBL9335895

SCHEMBL9335895

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.43
▸ LNPEP Q9UIQ6 5/20 0.41
▸ ERAP2 Q6P179 4/20 0.41
▸ POLB P06746 1/20 0.40
▸ TERT O14746 4/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ ITGB3 P05106 3/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ ITGA2B P08514 2/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
Formic Acid SCHEMBL9339307 0.96 CASR (0.43) CASRLNPEPERAP2POLBTERT
SCHEMBL9337573 0.88 POLB (0.52) LNPEPERAP2POLBHTTMAPK1
Formic Acid SCHEMBL9335859 0.85 POLB (0.48) CASRLNPEPERAP2POLBMAPK1
SCHEMBL9335939 0.82 HDAC3 (0.39) LNPEPERAP2HDAC3ITGB3ITGA2B
SCHEMBL9335651 0.82 EPHX2 (0.47) CASRITGB3ITGA2B
Formic Acid SCHEMBL9339344 0.79 EPHX2 (0.44) CASRITGB3ITGA2B
SCHEMBL9337587 0.78 HPGD (0.40) LNPEPERAP2POLBHDAC3ITGB3
SCHEMBL9866523 0.76 HTT (0.49) CASRPOLBHDAC3ITGB3ITGAV
SCHEMBL177286 0.75 CASR (0.62) CASRLNPEPERAP2MAPK1
SCHEMBL177287 0.75 CASR (0.62) 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-0372486-B1 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines HOFFMANN LA ROCHE (CH) 1994-06-01 — — EP claimed
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