SCHEMBL7378676

SCHEMBL7378676

CC(C)CC(CC(=O)O)NC(=O)CCCCc1ccc(C=NN)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.49
ITGA2B P08514 7/20 0.49
PLA2G2A P14555 2/20 0.46
PLA2G10 O15496 3/20 0.40
CAPN1 P07384 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 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
SCHEMBL7389607 0.89 ITGB3 (0.50) ITGB3ITGA2BPLA2G2ASMN1; SMN2ALDH1A1
SCHEMBL7380956 0.88 CYP4Z1 (0.43) ITGB3ITGA2BPLA2G2APLA2G10CAPN1
SCHEMBL7379875 0.87 ITGB3 (0.65) ITGB3ITGA2BPLA2G2ASMN1; SMN2ALDH1A1
SCHEMBL7381804 0.85 ITGB3 (0.67) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7357417 0.85 ITGB3 (0.46) ITGB3ITGA2BPLA2G2ASMN1; SMN2ALDH1A1
SCHEMBL7350097 0.85 ITGB3 (0.46) ITGB3ITGA2BPLA2G2ASMN1; SMN2ALDH1A1
SCHEMBL7350495 0.83 ITGB3 (0.45) ITGB3ITGA2BPLA2G2ASMN1; SMN2ALDH1A1
SCHEMBL7386249 0.83 ITGB3 (0.54) ITGB3ITGA2BPLA2G2AALDH1A1KMT2A
SCHEMBL9643608 0.82 PLA2G2A (0.61) ITGB3ITGA2BPLA2G2APLA2G10CAPN1
SCHEMBL9643613 0.82 PLA2G2A (0.61) ITGB3ITGA2BPLA2G2APLA2G10CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US claimed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO claimed
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US disclosed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO disclosed
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP disclosed