SCHEMBL6964258

SCHEMBL6964258

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)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.50
GPR119 Q8TDV5 4/20 0.42
MMP1 P03956 3/20 0.42
MMP3 P08254 3/20 0.42
MMP7 P09237 3/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
MMP2 P08253 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LIMK2 P53671 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
TGFBR1 P36897 1/20 0.39
LMNA P02545 1/20 0.39
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38

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
SCHEMBL6964185 0.95 GPR119 (0.48) MMP13GPR119MMP1MMP3MMP7
SCHEMBL7951214 0.95 TGFBR1 (0.44) MMP13GPR119MMP1MMP3MMP7
SCHEMBL6963385 0.94 STS (0.46) MMP13GPR119MMP1MMP3MMP7
SCHEMBL6962633 0.94 MMP13 (0.49) MMP13GPR119MMP1MMP3MMP7
SCHEMBL6968993 0.94 MMP13 (0.50) MMP13GPR119MMP1MMP3MMP7
SCHEMBL6968735 0.93 ITGB3 (0.45) MMP13GPR119MMP1MMP3MMP7
SCHEMBL6976930 0.92 TGFBR1 (0.45) MMP13TGFBR1
SCHEMBL6974989 0.92 GPR119 (0.42) MMP13GPR119MMP1MMP3MMP7
SCHEMBL6976329 0.91 F2 (0.44) MMP13GPR119KDM4ETGFBR1LMNA
SCHEMBL6976888 0.90 GPR119 (0.41) MMP13GPR119MMP1MMP3MMP7

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