SCHEMBL959640

SCHEMBL959640

Cc1cccc2[nH]cc(S[C@H](CC(C)C)C(=O)NCC(N)=O)c12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
STAT3 P40763 2/20 0.37
GPR84 Q9NQS5 1/20 0.36
ECE1 P42892 4/20 0.36
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL959641 1.00 POLB (0.39) POLBGFERSTAT3GPR84ECE1
SCHEMBL936885 0.90 POLB (0.39) POLBGFERGPR84ECE1
SCHEMBL936009 0.90 POLB (0.39) POLBGFERGPR84ECE1
SCHEMBL936327 0.88 ALOX5 (0.42) POLBGFERGPR84MAPTALDH1A1
SCHEMBL936328 0.88 ALOX5 (0.42) POLBGFERGPR84MAPTALDH1A1
SCHEMBL935885 0.88 MAPT (0.41) POLBGFERGPR84ECE1GAA
SCHEMBL936803 0.88 POLB (0.41) POLBGFERSTAT3GPR84ECE1
SCHEMBL957128 0.86 POLB (0.44) POLBGFERSTAT3GPR84MAPT
SCHEMBL962320 0.86 POLB (0.44) POLBGFERSTAT3GPR84MAPT
SCHEMBL957127 0.86 POLB (0.44) POLBGFERSTAT3GPR84MAPT

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