SCHEMBL9829026

SCHEMBL9829026

Cc1cccc(C[C@H](NC(=O)OCc2ccc(N)cc2)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CTSL P07711 3/20 0.55
CTSS P25774 3/20 0.55
CTSK P43235 3/20 0.55
ITGB3 P05106 9/20 0.53
ITGAV P06756 1/20 0.53
ITGA2B P08514 8/20 0.53
CTSB P07858 2/20 0.49
F2 P00734 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
TACR1 P25103 1/20 0.49
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL13536744 0.92 CTSK (0.62) POLBCTSLCTSSCTSKITGB3
SCHEMBL7084689 0.87 ITGB3 (0.66) CTSLCTSSCTSKITGB3ITGA2B
SCHEMBL8717685 0.87 ITGB3 (0.66) CTSLCTSSCTSKITGB3ITGA2B
SCHEMBL13536740 0.83 POLB (0.63) POLBCTSLCTSSCTSKCTSB
SCHEMBL30427977 0.82 ITGB3 (0.63) CTSLCTSSCTSKITGB3ITGAV
SCHEMBL13536734 0.82 ITGB3 (0.63) CTSLCTSSCTSKITGB3ITGAV
SCHEMBL9829121 0.81 CTSB (0.60) CTSLCTSSCTSKCTSB
Aniline SCHEMBL8510048 0.80 ALDH1A1 (0.59) CTSLCTSSCTSKITGB3ITGA2B
SCHEMBL15630497 0.80 ALDH1A1 (0.65) CTSLCTSSCTSKITGB3ITGA2B
SCHEMBL17007549 0.80 ALDH1A1 (0.65) CTSLCTSSCTSKITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed