SCHEMBL936009

SCHEMBL936009

Cc1cccc2[nH]cc(SC(CC(C)C)C(=O)NCC(=O)O)c12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
ECE1 P42892 5/20 0.38
GPR84 Q9NQS5 1/20 0.36
ACE P12821 1/20 0.36
MME P08473 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP1 P03956 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 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
SCHEMBL936885 1.00 POLB (0.39) POLBGFERITGB3ITGB1ITGAV
SCHEMBL959641 0.90 POLB (0.39) POLBGFERECE1GPR84
SCHEMBL959640 0.90 POLB (0.39) POLBGFERECE1GPR84
SCHEMBL936327 0.89 ALOX5 (0.42) POLBGFERGPR84MMP2MMP9
SCHEMBL936328 0.89 ALOX5 (0.42) POLBGFERGPR84MMP2MMP9
SCHEMBL935885 0.89 MAPT (0.41) POLBGFERECE1GPR84
SCHEMBL936803 0.89 POLB (0.41) POLBGFERECE1GPR84ITGB2
SCHEMBL962320 0.87 POLB (0.44) POLBGFERGPR84MMP2MMP1
SCHEMBL957128 0.87 POLB (0.44) POLBGFERGPR84MMP2MMP1
SCHEMBL957127 0.87 POLB (0.44) POLBGFERGPR84MMP2MMP1

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