SCHEMBL31576809

SCHEMBL31576809

CC(C)=CCc1c(O)cc(O)c(C(=O)C(C)C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
ALOX5 P09917 2/20 0.57
PTGES O14684 1/20 0.57
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
SMPD1 P17405 2/20 0.55
SOAT2 O75908 1/20 0.48
SOAT1 P35610 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CTSL P07711 1/20 0.46
APP P05067 1/20 0.46
PTPN1 P18031 1/20 0.46
BACE1 P56817 1/20 0.46
MGAM O43451 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL24075565 1.00 FFAR1 (0.59) FFAR1ALOX5PTGESPTGS1PTGS2
SCHEMBL24075568 0.88 ALOX5 (0.77) ALOX5PTGESPTGS1PTGS2CTSL
SCHEMBL31576814 0.87 HIF1A (0.54) FFAR1ALOX5PTGESPTGS1PTGS2
SCHEMBL24075664 0.87 HIF1A (0.54) FFAR1ALOX5PTGESPTGS1PTGS2
SCHEMBL31576819 0.84 ALOX5 (0.76) ALOX5PTGESPTGS1PTGS2SMPD1
SCHEMBL9578229 0.84 ALOX5 (0.76) ALOX5PTGESPTGS1PTGS2SMPD1
SCHEMBL7768624 0.84 PTGES (0.56) FFAR1ALOX5PTGESPTGS1PTGS2
SCHEMBL30100963 0.82 FFAR1 (0.64) FFAR1ALOX5PTGESPTGS1PTGS2
SCHEMBL24075655 0.82 MEN1 (0.49) FFAR1ALOX5PTGESPTGS1PTGS2
SCHEMBL31580515 0.82 MEN1 (0.49) FFAR1ALOX5PTGESPTGS1PTGS2

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