SCHEMBL29242003

SCHEMBL29242003

COc1cc(C=CC(=O)O)cc(Br)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
GAA P10253 2/20 1.00
PKM P14618 2/20 0.79
PTGS1 P23219 2/20 0.79
PTGS2 P35354 2/20 0.79
ALDH1A1 P00352 3/20 0.64
HPGD P15428 2/20 0.64
HSD17B10 Q99714 2/20 0.64
HTR1A P08908 1/20 0.64
HTR2C P28335 1/20 0.64
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2B6 P20813 1/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA3 P07451 1/20 0.59
CSNK2A2 P19784 1/20 0.59

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
SCHEMBL31207225 1.00 KDM4E (1.00) KDM4EGAAPKMPTGS1PTGS2
SCHEMBL30966316 1.00 KDM4E (1.00) KDM4EGAAPKMPTGS1PTGS2
SCHEMBL30928261 0.89 GAA (0.80) KDM4EGAAPKMPTGS1PTGS2
SCHEMBL30928252 0.89 GAA (0.80) KDM4EGAAPKMPTGS1PTGS2
Sinapinate SCHEMBL37313 0.89 PKM (1.00) KDM4EGAAPKMPTGS1PTGS2
Sinapinate SCHEMBL27753908 0.89 PKM (1.00) KDM4EGAAPKMPTGS1PTGS2
Sinapinate SCHEMBL37312 0.89 PKM (1.00) KDM4EGAAPKMPTGS1PTGS2
Sinapinate SCHEMBL15515158 0.89 PKM (1.00) KDM4EGAAPKMPTGS1PTGS2
Sinapinate SCHEMBL28937494 0.87 PKM (0.96) KDM4EGAAPKMPTGS1PTGS2
SCHEMBL14875151 0.86 KDM4E (0.76) KDM4EGAAPKMPTGS1PTGS2

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
CN-118266572-A Application of 3-methoxyphenyl-2-acrylic compound as bitter taste inhibitor 华南理工大学 2024-07-02 CN disclosed