SCHEMBL6976475

SCHEMBL6976475

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)c1cc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.56
MMP1 P03956 1/20 0.41
MYC P01106 2/20 0.39
MAX P61244 2/20 0.39
ACKR3 P25106 2/20 0.39
GPR119 Q8TDV5 2/20 0.39
TGFBR1 P36897 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL6970078 0.89 MMP13 (0.56) MMP13MMP1ACKR3KDM4EMAPT
SCHEMBL6962383 0.88 MMP13 (0.41) MMP13MMP1MYCMAXGPR119
SCHEMBL7951214 0.88 TGFBR1 (0.44) MMP13MMP1GPR119TGFBR1KDM4E
SCHEMBL6976329 0.88 F2 (0.44) MMP13GPR119TGFBR1KDM4E
SCHEMBL6963440 0.88 CYP3A4 (0.41) MMP13MMP1MYCMAXGPR119
SCHEMBL6975825 0.87 ITGB3 (0.44) MMP13MMP1GPR119TGFBR1KDM4E
SCHEMBL6962633 0.86 MMP13 (0.49) MMP13MMP1GPR119TGFBR1KDM4E
SCHEMBL6978000 0.86 MMP13 (0.56) MMP13MMP1MYCMAXGPR119
SCHEMBL6976930 0.86 TGFBR1 (0.45) MMP13TGFBR1MAPT
SCHEMBL6963135 0.85 STS (0.48) GPR119TGFBR1KDM4EPKMMAPT

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