SCHEMBL7951844

SCHEMBL7951844

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)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TGFBR1 P36897 15/20 0.42
FKBP1A P62942 1/20 0.39
MMP13 P45452 2/20 0.38
ALOX5 P09917 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
SCHEMBL6976930 0.92 TGFBR1 (0.45) TGFBR1MMP13
SCHEMBL7951214 0.90 TGFBR1 (0.44) TGFBR1MMP13
SCHEMBL6969887 0.90 TGFBR1 (0.49) TGFBR1MMP13
SCHEMBL7943420 0.89 TGFBR1 (0.47) TGFBR1
SCHEMBL6976329 0.89 F2 (0.44) ALDH1A1TGFBR1MMP13
SCHEMBL6962633 0.88 MMP13 (0.49) TGFBR1MMP13
SCHEMBL6964258 0.88 MMP13 (0.50) TGFBR1MMP13
SCHEMBL6964185 0.88 GPR119 (0.48) MMP13
SCHEMBL6968993 0.87 MMP13 (0.50) TGFBR1MMP13
SCHEMBL6963385 0.87 STS (0.46) ALDH1A1MMP13

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US disclosed