SCHEMBL8530276

SCHEMBL8530276

CCCCOc1ccc(C[C@H](N)C(=O)O)cc1.CCCCOc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.74
ITGA2B P08514 5/20 0.74
SLC7A5 Q01650 2/20 0.56
PTPN1 P18031 1/20 0.55
ACACB O00763 1/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
PDE4A P27815 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL157968 1.00 ITGB3 (0.74) ITGB3ITGA2BSLC7A5PTPN1ACACB
SCHEMBL157969 1.00 ITGB3 (0.74) ITGB3ITGA2BSLC7A5PTPN1ACACB
Hydrochloric Acid SCHEMBL16816256 0.98 ITGB3 (0.72) ITGB3ITGA2BSLC7A5PTPN1ACACB
Hydrochloric Acid SCHEMBL16816253 0.98 ITGB3 (0.72) ITGB3ITGA2BSLC7A5PTPN1ACACB
SCHEMBL4551608 0.97 ITGB3 (0.74) ITGB3ITGA2BLMNA
SCHEMBL4551607 0.97 ITGB3 (0.74) ITGB3ITGA2BLMNA
SCHEMBL1960615 0.96 ITGB3 (0.77) ITGB3ITGA2BPTPN1LMNA
SCHEMBL1960616 0.96 ITGB3 (0.77) ITGB3ITGA2BPTPN1LMNA
SCHEMBL7142926 0.96 ITGB3 (0.77) ITGB3ITGA2BPTPN1LMNA
SCHEMBL31193421 0.96 ITGB3 (0.77) ITGB3ITGA2BPTPN1LMNA

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
EP-0873357-A2 ANTITHROMBOTIC AGENTS AND METHODS OF USE LA JOLLA CANCER RESEARCH FOUNDATION (US) 1998-10-28 EP disclosed
US-5672585-A HYDROPHOBIC AND CATIONIC AMINO ACID-CONTAINING CYCLIC (POLY)PEPTIDES HAVING HIGH AFFINITY FOR GLYCOPROTEIN IIB/IIIA RECEPTORS TO INHIBIT PLATELET AGGREGATION WITHOUT PROLONGED BLEEDING LA JOLLA CANCER RESEARCH FOUNDATION (US) 1997-09-30 US disclosed
WO-1997025343-A2 ANTITHROMBOTIC AGENTS AND METHODS OF USE LA JOLLA CANCER RESEARCH FOUNDATION (US) 1997-07-17 WO disclosed
WO-1995000544-A1 METHOD AND COMPOSITION FOR TREATING THROMBOSIS LA JOLLA CANCER RESEARCH FOUNDATION (US) 1995-01-05 WO disclosed