SCHEMBL23601795

SCHEMBL23601795

CCc1cc(OC)cc(OCC=C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MGAM O43451 4/20 0.40
SI P14410 4/20 0.40
MGAM2 Q2M2H8 4/20 0.40
MTNR1A P48039 2/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
CYP19A1 P11511 1/20 0.38
TRPA1 O75762 1/20 0.37
ALOX5 P09917 2/20 0.36
PTGES O14684 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL23580897 0.87 MGAM (0.40) GAAALDH1A1KDM4EMGAMSI
SCHEMBL23580922 0.85 TP53 (0.43) GAAALDH1A1KDM4EMGAMSI
SCHEMBL30279792 0.85 TP53 (0.43) GAAALDH1A1KDM4EMGAMSI
SCHEMBL30279727 0.81 TP53 (0.47) GAAALDH1A1KDM4EMGAMSI
SCHEMBL23581049 0.81 TP53 (0.47) GAAALDH1A1KDM4EMGAMSI
SCHEMBL23580918 0.80 PGK1 (0.40) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL18162180 0.79 ALDH1A1 (0.40) GAAALDH1A1KDM4EMAPTMGAM
SCHEMBL28917697 0.79 TP53 (0.39) GAAALDH1A1KDM4EMGAMSI
SCHEMBL30279733 0.79 CYP19A1 (0.36) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL25612287 0.79 CYP19A1 (0.36) GAAALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127743-A1 SUBSTITUTED HYDROXYSTILBENE COMPOUNDS AND DERIVATIVES SYNTHESIS AND USES THEREOF Kynan Duke IP, LLC (US) 2021-07-01 WO disclosed