SCHEMBL24288159

SCHEMBL24288159

C=C(F)/C=C\C(=C/C)c1ccccc1CC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CLCN2 P51788 1/20 0.33
F2R P25116 1/20 0.31
KAT6A Q92794 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL25673396 0.79 GABRA1 (0.43) GABRA1GABRB2CLCN2F2RKAT6A
SCHEMBL6546236 0.72 GABRA1 (0.48) GABRA1GABRB2CLCN2F2RGAA
SCHEMBL17331003 0.70 GABRA1 (0.46) GABRA1GABRB2CLCN2F2RKAT6A
SCHEMBL29396009 0.69 GABRA1 (0.44) GABRA1GABRB2CLCN2F2RGAA
SCHEMBL25636336 0.69 GABRA1 (0.44) GABRA1GABRB2CLCN2F2RHTT
SCHEMBL721894 0.69 GABRA1 (0.44) GABRA1GABRB2CLCN2F2RGAA
SCHEMBL536538 0.68 GABRA1 (0.40) GABRA1GABRB2CLCN2F2RHTT
SCHEMBL7545708 0.68 GABRA1 (0.36) GABRA1GABRB2CLCN2F2RGAA
SCHEMBL11853872 0.67 GABRA1 (0.43) GABRA1GABRB2CLCN2F2RGAA
SCHEMBL22624520 0.67 GABRA1 (0.43) GABRA1GABRB2CLCN2F2RKAT6A

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
EP-3118204-B1 O-PHENYL CHALCONE COMPOUND AND PREPARATION METHOD AND USE THEREOF NEOPANORA BIO TECH ZHUHAI LTD (CN) 2022-04-20 EP disclosed