SCHEMBL6966272

SCHEMBL6966272

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)c1c(C)cc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.42
MAX P61244 2/20 0.42
EPHX2 P34913 2/20 0.41
MMP13 P45452 3/20 0.38
GPR119 Q8TDV5 3/20 0.37
TGFBR1 P36897 3/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGAV P06756 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
SCHEMBL6964258 0.89 MMP13 (0.50) MYCMAXMMP13GPR119TGFBR1
SCHEMBL6976930 0.89 TGFBR1 (0.45) MMP13TGFBR1
SCHEMBL7951214 0.89 TGFBR1 (0.44) MMP13GPR119TGFBR1KDM4EPKM
SCHEMBL6976765 0.88 MYC (0.39) MYCMAXMMP13GPR119TGFBR1
SCHEMBL6964185 0.87 GPR119 (0.48) MMP13GPR119
SCHEMBL6977003 0.87 LMNA (0.40) MYCMAXMMP13GPR119KDM4E
SCHEMBL6970220 0.87 MYC (0.38) MYCMAXMMP13GPR119TGFBR1
SCHEMBL6968993 0.87 MMP13 (0.50) MMP13GPR119TGFBR1KDM4EPKM
SCHEMBL6963385 0.87 STS (0.46) MYCMAXMMP13GPR119KDM4E
SCHEMBL6962633 0.87 MMP13 (0.49) MMP13GPR119TGFBR1KDM4EPKM

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