SCHEMBL957431

SCHEMBL957431

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
POLB P06746 5/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
APAF1 O14727 1/20 0.39
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
ECE1 P42892 5/20 0.37
GFER P55789 1/20 0.36
TP53 P04637 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
DNMT1 P26358 1/20 0.35

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
SCHEMBL955533 1.00 GPR84 (0.41) GPR84POLBKDM4EMAPTRECQL
SCHEMBL935339 1.00 GPR84 (0.41) GPR84POLBKDM4EMAPTRECQL
SCHEMBL1052259 0.89 ACE (0.41) POLBITGB2ICAM1ITGALECE1
SCHEMBL935380 0.89 ACE (0.41) POLBITGB2ICAM1ITGALECE1
SCHEMBL1050263 0.89 ACE (0.41) POLBITGB2ICAM1ITGALECE1
SCHEMBL935379 0.89 ACE (0.41) POLBITGB2ICAM1ITGALECE1
SCHEMBL936100 0.88 ECE1 (0.46) ITGB2ICAM1ITGALECE1
SCHEMBL1055888 0.88 ECE1 (0.46) ITGB2ICAM1ITGALECE1
SCHEMBL936102 0.88 ECE1 (0.46) ITGB2ICAM1ITGALECE1
SCHEMBL935586 0.87 POLB (0.51) GPR84POLBKDM4EMAPTRECQL

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