SCHEMBL936027

SCHEMBL936027

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.42
FFAR1 O14842 1/20 0.42
PPARG P37231 7/20 0.41
PPARA Q07869 7/20 0.41
POLB P06746 4/20 0.40
ALOX5 P09917 5/20 0.39
PTGES O14684 4/20 0.39
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
TP53 P04637 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 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
SCHEMBL935586 0.90 POLB (0.51) GPR84PPARGPPARAPOLBITGB2
SCHEMBL955533 0.85 GPR84 (0.41) GPR84POLBITGB2ICAM1ITGAL
SCHEMBL935339 0.85 GPR84 (0.41) GPR84POLBITGB2ICAM1ITGAL
SCHEMBL957431 0.85 GPR84 (0.41) GPR84POLBITGB2ICAM1ITGAL
SCHEMBL937949 0.83 POLB (0.41) GPR84FFAR1POLBKMT2AMAPT
SCHEMBL936096 0.81 GPR84 (0.41) GPR84POLBITGB2ICAM1ITGAL
SCHEMBL936239 0.80 SMN1; SMN2 (0.45) GPR84POLBITGB2ICAM1ITGAL
SCHEMBL935459 0.78 ALDH1A1 (0.42) GPR84PPARGPPARAPOLBITGB2
SCHEMBL935380 0.77 ACE (0.41) POLBITGB2ICAM1ITGAL
SCHEMBL1052259 0.77 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