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SCHEMBL6970078

SCHEMBL6970078

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(-c2ccccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 18/20 0.56
▸ MMP1 P03956 6/20 0.56
▸ ACKR3 P25106 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MMP2 P08253 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP14 P50281 1/20 0.41

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
SCHEMBL7951214 0.89 TGFBR1 (0.44) MMP13MMP1KDM4EMMP2MMP3
SCHEMBL6963440 0.89 CYP3A4 (0.41) MMP13MMP1KDM4E
SCHEMBL6962633 0.89 MMP13 (0.49) MMP13MMP1KDM4EMMP2MMP3
SCHEMBL6976475 0.89 MMP13 (0.56) MMP13MMP1ACKR3KDM4EMAPT
SCHEMBL6975825 0.87 ITGB3 (0.44) MMP13MMP1KDM4E
SCHEMBL6976930 0.87 TGFBR1 (0.45) MMP13MAPT
SCHEMBL6976038 0.87 TGFBR1 (0.48) MMP13MMP1ACKR3MMP2MMP3
SCHEMBL6963135 0.86 STS (0.48) KDM4EMAPT
SCHEMBL6964258 0.86 MMP13 (0.50) MMP13MMP1KDM4EMMP2MMP3
SCHEMBL7955842 0.85 TGFBR1 (0.42) MMP13MMP1ACKR3KDM4E

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