SCHEMBL937583

SCHEMBL937583

CSCCC(NC(=O)C(CC(C)C)Sc1c[nH]c2cccc(C)c12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 5/20 0.42
LTA4H P09960 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40

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
SCHEMBL1051417 1.00 ECE1 (0.42) ECE1LTA4HFNTAFNTB
SCHEMBL937582 1.00 ECE1 (0.42) ECE1LTA4HFNTAFNTB
SCHEMBL936102 0.90 ECE1 (0.46) ECE1
SCHEMBL936100 0.90 ECE1 (0.46) ECE1
SCHEMBL1055888 0.90 ECE1 (0.46) ECE1
SCHEMBL937460 0.90 ERAP2 (0.46) ECE1
SCHEMBL937461 0.90 ERAP2 (0.46) ECE1
SCHEMBL1050088 0.90 ERAP2 (0.46) ECE1
SCHEMBL1045846 0.88 ECE1 (0.45) ECE1
SCHEMBL935823 0.88 ECE1 (0.45) ECE1

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
WO-2011010748-A1 INDOLE DERIVATIVE AND SALTINESS-STRENGTHENING AGENT CONTAINING THE DERIVATIVE 味の素株式会社 (JP) 2011-01-27 WO disclosed