SCHEMBL1050263

SCHEMBL1050263

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.41
ECE1 P42892 5/20 0.40
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
SDCBP O00560 1/20 0.37
SDC2 P34741 1/20 0.37

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
SCHEMBL1052259 1.00 ACE (0.41) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL935379 1.00 ACE (0.41) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL935380 1.00 ACE (0.41) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL936102 0.90 ECE1 (0.46) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL936100 0.90 ECE1 (0.46) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL1055888 0.90 ECE1 (0.46) ACEECE1ITGB2ICAM1ITGAL
SCHEMBL935339 0.89 GPR84 (0.41) ECE1ITGB2ICAM1ITGALPOLB
SCHEMBL957431 0.89 GPR84 (0.41) ECE1ITGB2ICAM1ITGALPOLB
SCHEMBL955533 0.89 GPR84 (0.41) ECE1ITGB2ICAM1ITGALPOLB
SCHEMBL935823 0.89 ECE1 (0.45) ACEECE1ITGB2ICAM1ITGAL

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