SCHEMBL6971548

SCHEMBL6971548

CCOC(=O)C(CNC(=O)C(NC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
MMP13 P45452 5/20 0.42
PLG P00747 2/20 0.41
TGFBR1 P36897 4/20 0.41
PLAU P00749 2/20 0.41
PLAT P00750 1/20 0.41
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
MMP1 P03956 3/20 0.40
MMP3 P08254 3/20 0.40
MMP7 P09237 3/20 0.40
MMP9 P14780 3/20 0.40
MMP8 P22894 3/20 0.40
MMP2 P08253 2/20 0.40
F10 P00742 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
SCHEMBL6969381 0.93 ITGB3 (0.43) F2ITGB3ITGA2BMMP13PLG
SCHEMBL6976118 0.91 F2 (0.44) F2ITGB3ITGA2BMMP13PLG
SCHEMBL6971755 0.90 F2 (0.46) F2ITGB3ITGA2BMMP13PLG
SCHEMBL6976329 0.90 F2 (0.44) F2ITGB3ITGA2BMMP13PLG
SCHEMBL6973594 0.89 ITGB3 (0.44) F2ITGB3ITGA2BMMP13PLG
SCHEMBL6973599 0.89 ITGB3 (0.44) F2ITGB3ITGA2BMMP13PLG
SCHEMBL7951841 0.85 F10 (0.47) F2PLGPLAUF10
SCHEMBL6975339 0.85 MMP13 (0.44) F2MMP13TGFBR1MMP1MMP3
SCHEMBL7139133 0.83 TGFBR1 (0.42) F2MMP13TGFBR1MMP1MMP3
SCHEMBL7951214 0.82 TGFBR1 (0.44) MMP13TGFBR1KDM4EMMP1MMP3

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