SCHEMBL935586

SCHEMBL935586

CCC(Sc1c[nH]c2cccc(C)c12)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.51
GPR84 Q9NQS5 1/20 0.43
HTT P42858 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
GAA P10253 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 2/20 0.37
APAF1 O14727 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL936027 0.90 GPR84 (0.42) POLBGPR84ITGB2ICAM1ITGAL
SCHEMBL935339 0.87 GPR84 (0.41) POLBGPR84ALDH1A1ITGB2ICAM1
SCHEMBL957431 0.87 GPR84 (0.41) POLBGPR84ALDH1A1ITGB2ICAM1
SCHEMBL955533 0.87 GPR84 (0.41) POLBGPR84ALDH1A1ITGB2ICAM1
SCHEMBL936096 0.83 GPR84 (0.41) POLBGPR84ALDH1A1ITGB2ICAM1
SCHEMBL936239 0.82 SMN1; SMN2 (0.45) POLBGPR84ALDH1A1ITGB2ICAM1
SCHEMBL935155 0.82 POLB (0.42) POLBGPR84ALDH1A1GAAMAPT
SCHEMBL935459 0.80 ALDH1A1 (0.42) POLBGPR84HTTALDH1A1ITGB2
SCHEMBL935380 0.79 ACE (0.41) POLBITGB2ICAM1ITGAL
SCHEMBL935379 0.79 ACE (0.41) POLBITGB2ICAM1ITGAL

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