SCHEMBL6970220

SCHEMBL6970220

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)n[nH]c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.38
MAX P61244 2/20 0.38
GPR119 Q8TDV5 4/20 0.35
POLB P06746 1/20 0.35
MMP13 P45452 8/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
MMP1 P03956 2/20 0.33
LIMK2 P53671 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TGFBR1 P36897 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL6977003 0.88 LMNA (0.40) MYCMAXGPR119POLBMMP13
SCHEMBL6966272 0.87 MYC (0.42) MYCMAXGPR119MMP13KDM4E
SCHEMBL6967503 0.86 MYC (0.39) MYCMAXGPR119MMP13KDM4E
SCHEMBL6964185 0.85 GPR119 (0.48) GPR119MMP13MMP1LIMK2MMP2
SCHEMBL7951214 0.85 TGFBR1 (0.44) GPR119MMP13KDM4EPKMMMP1
SCHEMBL6964258 0.85 MMP13 (0.50) MYCMAXGPR119MMP13KDM4E
SCHEMBL6968609 0.84 GPR119 (0.39) MYCMAXGPR119MMP13KDM4E
SCHEMBL6968608 0.84 MYC (0.36) MYCMAXGPR119MMP13KDM4E
SCHEMBL6963385 0.84 STS (0.46) MYCMAXGPR119MMP13KDM4E
SCHEMBL6968993 0.84 MMP13 (0.50) GPR119MMP13KDM4EPKMMMP1

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