SCHEMBL6978000

SCHEMBL6978000

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)c1cc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.56
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
TGFBR1 P36897 7/20 0.39
GPR119 Q8TDV5 2/20 0.39
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36
MMP1 P03956 1/20 0.36
LIMK2 P53671 1/20 0.35
YAP1 P46937 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL7951214 0.88 TGFBR1 (0.44) MMP13KDM4EPKMTGFBR1GPR119
SCHEMBL6976329 0.88 F2 (0.44) MMP13KDM4ETGFBR1GPR119
SCHEMBL6975825 0.87 ITGB3 (0.44) MMP13KDM4EPKMTGFBR1GPR119
SCHEMBL6976765 0.86 MYC (0.39) MMP13KDM4EPKMTGFBR1GPR119
SCHEMBL6962633 0.86 MMP13 (0.49) MMP13KDM4EPKMTGFBR1GPR119
SCHEMBL6976475 0.86 MMP13 (0.56) MMP13KDM4EPKMTGFBR1GPR119
SCHEMBL6976930 0.86 TGFBR1 (0.45) MMP13TGFBR1
SCHEMBL6963135 0.85 STS (0.48) KDM4EPKMTGFBR1GPR119YAP1
SCHEMBL6964258 0.85 MMP13 (0.50) MMP13KDM4EPKMTGFBR1GPR119
SCHEMBL7955983 0.85 YAP1 (0.42) MMP13KDM4EPKMTGFBR1GPR119

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