SCHEMBL8792802

SCHEMBL8792802

CCCCCc1cocc1CCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
ALOX5 P09917 6/20 0.41
CYP3A4 P08684 3/20 0.41
TYR P14679 2/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 8/20 0.38
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 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
SCHEMBL7261310 0.97 LIPG (0.45) LIPGALOX5CYP3A4TYRTP53
SCHEMBL983361 0.92 CTRC (0.41) LIPGALOX5CYP3A4TYRTP53
SCHEMBL10952816 0.80 HMGCR (0.33) TSHRKDM4EALDH1A1HSD17B10
SCHEMBL827506 0.78 MAPT (0.37) LIPGTYRMEN1MAPTHTT
SCHEMBL827035 0.77 CTRC (0.43) TYRMEN1MAPTKMT2AKDM4E
SCHEMBL13892899 0.77 CTRC (0.35) TYRMAPT
SCHEMBL18889039 0.75 ALOX5 (0.50) LIPGALOX5CYP3A4TYRTP53
SCHEMBL827018 0.73 CTRC (0.33) TYR
SCHEMBL25415956 0.72 ALOX5 (0.40) LIPGALOX5CYP3A4TYRTP53
SCHEMBL82794 0.70 LIPG (0.65) LIPGALOX5CYP3A4TYRTP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764644-A1 Use of medicaments containing 3,4-diaryl furans and analogs thereof for treating a gastrointestinal condition G.D. SEARLE & CO. (US) 1997-03-26 EP disclosed
EP-0764645-A1 Novel 3,4-diaryl furans and analogs thereof having use as anti-inflammatory agents G.D. SEARLE & CO. (US) 1997-03-26 EP disclosed
EP-0763024-A1 NOVEL PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1997-03-19 EP disclosed
EP-0759432-A1 Use of medicaments containing 3,4-diaryl furans and analogs thereof for treating a skin-related condition G.D. SEARLE & CO. (US) 1997-02-26 EP disclosed
WO-1995033725-A1 NOVEL PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1995-12-14 WO disclosed