SCHEMBL9752926

SCHEMBL9752926

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 1.00
KDM4E B2RXH2 1/20 0.47
DBH P09172 1/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
PTGES O14684 4/20 0.47
ALOX5 P09917 4/20 0.47
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41
FBP1 P09467 2/20 0.41
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
PTGS1 P23219 1/20 0.35
DRD3 P35462 1/20 0.35
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35

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
SCHEMBL30550305 0.87 FFAR1 (0.75) FFAR1KDM4EDBHGAARECQL
SCHEMBL31040544 0.87 FFAR1 (0.75) FFAR1KDM4EDBHGAARECQL
SCHEMBL28141278 0.86 FFAR1 (0.74) FFAR1KDM4EDBHGAARECQL
SCHEMBL31040545 0.82 FFAR1 (0.69) FFAR1KDM4EDBHGAARECQL
SCHEMBL9752901 0.81 FFAR1 (0.66) FFAR1KDM4EDBHGAARECQL
Phloroisobutyrophenone SCHEMBL2150396 0.81 FFAR1 (0.68) FFAR1KDM4EDBHGAARECQL
SCHEMBL24075565 0.76 FFAR1 (0.59) FFAR1PTGESALOX5MEN1CYP3A4
SCHEMBL31576809 0.76 FFAR1 (0.59) FFAR1PTGESALOX5MEN1CYP3A4
SCHEMBL23517007 0.74 CYP3A4 (0.62) FFAR1KDM4EDBHGAARECQL
SCHEMBL34468666 0.74 FFAR1 (0.56) FFAR1KDM4EGAAPTGESALOX5

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 3 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
WO-1991009595-A1 ANTI-VIRAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 1991-07-11 WO disclosed