SCHEMBL6973594

SCHEMBL6973594

CCOC(=O)C(CNC(=O)CCNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
F2 P00734 4/20 0.43
PLG P00747 2/20 0.43
TGFBR1 P36897 3/20 0.41
PLAU P00749 2/20 0.41
PLAT P00750 1/20 0.41
MMP13 P45452 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F10 P00742 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL6973599 1.00 ITGB3 (0.44) ITGB3ITGA2BF2PLGTGFBR1
SCHEMBL6976329 0.94 F2 (0.44) ITGB3ITGA2BF2PLGTGFBR1
SCHEMBL6977329 0.93 TGFBR1 (0.43) ITGB3ITGA2BTGFBR1MMP13KDM4E
SCHEMBL6977326 0.93 TGFBR1 (0.43) ITGB3ITGA2BTGFBR1MMP13KDM4E
SCHEMBL6971755 0.90 F2 (0.46) ITGB3ITGA2BF2PLGTGFBR1
SCHEMBL6969381 0.89 ITGB3 (0.43) ITGB3ITGA2BF2PLGTGFBR1
SCHEMBL6976118 0.89 F2 (0.44) ITGB3ITGA2BF2PLGTGFBR1
SCHEMBL6971548 0.89 F2 (0.43) ITGB3ITGA2BF2PLGTGFBR1
SCHEMBL6975339 0.87 MMP13 (0.44) F2TGFBR1MMP13F10ST14
SCHEMBL7139133 0.87 TGFBR1 (0.42) F2TGFBR1MMP13F10ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
US-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US disclosed