SCHEMBL7414880

SCHEMBL7414880

CCOC(=O)CCC(NS(C)(=O)=O)C(=O)NCCCCc1ccc(C(=N)N)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.47
F10 P00742 3/20 0.47
PRSS1 P07477 1/20 0.43
PLAU P00749 2/20 0.42
HPN P05981 2/20 0.42
ITGB3 P05106 9/20 0.42
ITGA2B P08514 9/20 0.42
ST14 Q9Y5Y6 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7414884 1.00 F2 (0.47) F2F10PRSS1PLAUHPN
SCHEMBL7423099 0.88 ITGB3 (0.54) PLAUHPNITGB3ITGA2BST14
SCHEMBL7423093 0.88 ITGB3 (0.54) PLAUHPNITGB3ITGA2BST14
SCHEMBL7417659 0.81 MEN1 (0.56) F2F10PLAUMEN1ALDH1A1
SCHEMBL7409898 0.81 MEN1 (0.56) F2F10PLAUMEN1ALDH1A1
SCHEMBL7387496 0.79 ITGB3 (0.54) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7388775 0.76 F2 (0.46) F2F10PRSS1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7297924 0.75 F2 (0.58) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7384718 0.73 F2 (0.45) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7423101 0.73 S1PR2 (0.38) ITGB3ITGA2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US claimed
WO-1993012074-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-06-24 WO claimed
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed
US-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US disclosed