SCHEMBL31576814

SCHEMBL31576814

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.54
EPAS1 Q99814 9/20 0.54
PTGES O14684 1/20 0.53
ALOX5 P09917 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
SMPD1 P17405 2/20 0.52
FBP1 P09467 1/20 0.48
CYP19A1 P11511 1/20 0.44
CTSL P07711 1/20 0.44
APP P05067 1/20 0.43
PTPN1 P18031 1/20 0.43
BACE1 P56817 1/20 0.43
MGAM O43451 1/20 0.43
FFAR1 O14842 1/20 0.42

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
SCHEMBL24075664 1.00 HIF1A (0.54) HIF1AEPAS1PTGESALOX5PTGS1
SCHEMBL24075662 0.89 PTGES (0.72) PTGESALOX5PTGS1PTGS2CTSL
SCHEMBL24075565 0.87 FFAR1 (0.59) HIF1AEPAS1PTGESALOX5PTGS1
SCHEMBL31576809 0.87 FFAR1 (0.59) HIF1AEPAS1PTGESALOX5PTGS1
SCHEMBL24075656 0.84 HIF1A (0.56) HIF1AEPAS1PTGESALOX5
SCHEMBL31576819 0.81 ALOX5 (0.76) PTGESALOX5PTGS1PTGS2SMPD1
SCHEMBL9578229 0.81 ALOX5 (0.76) PTGESALOX5PTGS1PTGS2SMPD1
SCHEMBL30100945 0.80 PTGS1 (0.58) PTGESALOX5PTGS1PTGS2SMPD1
SCHEMBL30100963 0.79 FFAR1 (0.64) HIF1AEPAS1PTGESALOX5PTGS1
SCHEMBL30550437 0.77 FBP1 (0.56) HIF1AEPAS1PTGESALOX5PTGS1

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