SCHEMBL9655265

SCHEMBL9655265

CCCc1cccc2c(C=C(CC)C(=O)O)cc(OC)c(O)c12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ALOX5 P09917 6/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
PPARA Q07869 1/20 0.36
LTB4R Q15722 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
ELANE P08246 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
HMGCR P04035 1/20 0.35
ERN1 O75460 3/20 0.34
PTGES O14684 2/20 0.34
PPARG P37231 2/20 0.34

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
SCHEMBL8974675 1.00 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8974534 1.00 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9652523 0.92 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9652527 0.92 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9655192 0.92 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8974367 0.90 ALOX5 (0.39) ALOX5ERN1PTGESPPARG
SCHEMBL8974365 0.90 ALOX5 (0.39) ALOX5ERN1PTGESPPARG
SCHEMBL8974836 0.88 ALOX5 (0.37) ALOX5PTGS2PTGS1PPARAELANE
SCHEMBL8974350 0.88 ALOX5 (0.37) ALOX5PTGS2PTGS1PPARAELANE
SCHEMBL8974364 0.88 ALOX5 (0.37) ALOX5PTGS2PTGS1PPARAELANE

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
US-5134111-A Inhibitors of interleukin-1 as antiinflammatory agents EISAI CO., LTD. (JP) 1992-07-28 US disclosed