SCHEMBL9655192

SCHEMBL9655192

CC/C(=C\c1cc(OC)c(O)c2c(CC)cccc12)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
EGFR P00533 2/20 0.36
ERBB2 P04626 2/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
ERN1 O75460 3/20 0.35
PPARG P37231 1/20 0.35
ALOX5 P09917 3/20 0.34
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
ADORA2A P29274 1/20 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
SCHEMBL9652527 1.00 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9652523 1.00 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8974534 0.92 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9655265 0.92 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8974675 0.92 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9652510 0.89 CYP3A4 (0.41) ERN1ALOX5KMT2AADORA2AMEN1
SCHEMBL9655150 0.89 CYP3A4 (0.41) ERN1ALOX5KMT2AADORA2AMEN1
SCHEMBL8973836 0.87 ERN1 (0.37) EGFRERBB2ERN1ALOX5PTGS2
SCHEMBL8974825 0.87 ERN1 (0.37) EGFRERBB2ERN1ALOX5PTGS2
SCHEMBL8973822 0.87 ERN1 (0.37) EGFRERBB2ERN1ALOX5PTGS2

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