SCHEMBL7661978

SCHEMBL7661978

CSCC[C@@H](NC(=O)N(CCO)CCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
FNTA P49354 3/20 0.47
FNTB P49356 3/20 0.47
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ANPEP P15144 1/20 0.44

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
SCHEMBL6895134 1.00 LTA4H (0.48) LTA4HFNTAFNTBNPSR1ALDH1A1
SCHEMBL6895131 1.00 LTA4H (0.48) LTA4HFNTAFNTBNPSR1ALDH1A1
SCHEMBL27559953 0.89 LPAR1 (0.43)
SCHEMBL6898194 0.89 LPAR1 (0.43)
SCHEMBL6897939 0.84 LPAR1 (0.54)
SCHEMBL6898730 0.84 NPC1 (0.45) ALDH1A1
SCHEMBL6898735 0.84 NPC1 (0.45) ALDH1A1
SCHEMBL6890431 0.83 LPAR1 (0.52) LTA4HNPSR1CA12CA1CA9
SCHEMBL6895388 0.83 LPAR1 (0.53) NPSR1CA12CA1CA9
SCHEMBL6891317 0.83 LPAR1 (0.53) NPSR1CA12CA1CA9

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-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed