SCHEMBL31576819

SCHEMBL31576819

CC(=O)c1c(O)cc(O)c(CC=C(C)C)c1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.76
PTGS2 P35354 3/20 0.76
PTGS1 P23219 2/20 0.76
PTGES O14684 1/20 0.76
SMPD1 P17405 2/20 0.60
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PTPN1 P18031 2/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
APP P05067 1/20 0.50
BACE1 P56817 1/20 0.50
CTSL P07711 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL9578229 1.00 ALOX5 (0.76) ALOX5PTGS2PTGS1PTGESSMPD1
SCHEMBL29495886 0.87 ALOX5 (1.00) ALOX5PTGS2PTGS1PTGESPTPN1
SCHEMBL30100945 0.85 PTGS1 (0.58) ALOX5PTGS2PTGS1PTGESSMPD1
SCHEMBL24075565 0.84 FFAR1 (0.59) ALOX5PTGS2PTGS1PTGESSMPD1
SCHEMBL31576809 0.84 FFAR1 (0.59) ALOX5PTGS2PTGS1PTGESSMPD1
SCHEMBL15361658 0.83 CYP19A1 (0.59) ALOX5PTGS2PTGS1PTGESSMPD1
Preremirol SCHEMBL24305165 0.83 ALOX5 (0.65) ALOX5PTGS2PTGS1PTGESSMPD1
SCHEMBL1933140 0.83 PTGES (0.58) ALOX5PTGS2PTGS1PTGESSMPD1
SCHEMBL24075657 0.82 SMPD1 (0.60) ALOX5PTGS2PTGS1PTGESSMPD1
SCHEMBL30100963 0.82 FFAR1 (0.64) ALOX5PTGS2PTGS1PTGESSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025104281-A1 HOP DERIVED COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES CAUSED BY CORONAVIRUSES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2025-05-22 WO disclosed
EP-4556004-A1 HOP DERIVED COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES CAUSED BY CORONAVIRUSES Centre National de la Recherche Scientifique (FR) 2025-05-21 EP disclosed