SCHEMBL6967503

SCHEMBL6967503

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)c1sc(C)nc1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.39
MAX P61244 2/20 0.39
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
MMP13 P45452 9/20 0.35
MMP1 P03956 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
PKM P14618 1/20 0.34
TGFBR1 P36897 2/20 0.33
GLS O94925 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL6968608 0.92 MYC (0.36) MYCMAXKDM4EMAPTMMP13
SCHEMBL6970220 0.86 MYC (0.38) MYCMAXKDM4EMMP13MMP1
SCHEMBL6977003 0.86 LMNA (0.40) MYCMAXKDM4EMMP13GPR119
SCHEMBL6966272 0.85 MYC (0.42) MYCMAXKDM4EMMP13GPR119
SCHEMBL7951214 0.85 TGFBR1 (0.44) KDM4EMMP13MMP1GPR119PKM
SCHEMBL6964258 0.85 MMP13 (0.50) MYCMAXKDM4EMMP13MMP1
SCHEMBL6962383 0.84 MMP13 (0.41) MYCMAXKDM4EMAPTMMP13
SCHEMBL6968609 0.84 GPR119 (0.39) MYCMAXKDM4EMMP13GPR119
SCHEMBL6964185 0.84 GPR119 (0.48) MMP13MMP1GPR119
SCHEMBL6963440 0.84 CYP3A4 (0.41) MYCMAXKDM4EMMP13MMP1

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