SCHEMBL6964463

SCHEMBL6964463

CCOC(=O)[C@H](CNC(=O)CNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)NS(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.43
BMP1 P13497 1/20 0.41
TP53 P04637 2/20 0.39
TGFBR1 P36897 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
CHRM2 P08172 2/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 3/20 0.37
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL6964984 0.96 MMP13 (0.39) MMP13BMP1TP53TGFBR1GPR119
SCHEMBL6977156 0.91 GPR119 (0.40) MMP13TGFBR1GPR119MYCMAX
SCHEMBL6964258 0.89 MMP13 (0.50) MMP13TGFBR1GPR119LMNAMYC
SCHEMBL6976930 0.89 TGFBR1 (0.45) MMP13TGFBR1MAPT
SCHEMBL6964185 0.89 GPR119 (0.48) MMP13GPR119MMP1MMP2MMP3
SCHEMBL7951214 0.89 TGFBR1 (0.44) MMP13TGFBR1GPR119MMP1MMP2
SCHEMBL6976329 0.88 F2 (0.44) MMP13TGFBR1GPR119LMNA
SCHEMBL6963385 0.88 STS (0.46) MMP13GPR119LMNAMAPTMYC
SCHEMBL6968993 0.88 MMP13 (0.50) MMP13TGFBR1GPR119MAPTMMP1
SCHEMBL6962633 0.88 MMP13 (0.49) MMP13TGFBR1GPR119MMP1MMP2

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