SCHEMBL30974593

SCHEMBL30974593

NC(=O)c1cc(Cl)ccc1Oc1ccc(O)c(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.51
THRB P10828 8/20 0.51
CTNNB1 P35222 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
BRD4 O60885 1/20 0.44
F10 P00742 1/20 0.42
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
BCAT2 O15382 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL29250803 1.00 THRA (0.51) THRATHRBCTNNB1PTGDR2BRD4
SCHEMBL29250440 0.86 CTNNB1 (0.47) THRATHRBCTNNB1BRD4F10
SCHEMBL30974625 0.86 CTNNB1 (0.47) THRATHRBCTNNB1BRD4F10
SCHEMBL29251268 0.83 CTNNB1 (0.51) CTNNB1PTGDR2BRD4F10CYP1A2
SCHEMBL30974617 0.83 CTNNB1 (0.51) CTNNB1PTGDR2BRD4F10CYP1A2
SCHEMBL12505440 0.82 CTNNB1 (0.65) CTNNB1BRD4CYP1A2CYP3A4CYP2C9
SCHEMBL30974618 0.81 BRD4 (0.46) BRD4CA1CA2
SCHEMBL29250847 0.81 BRD4 (0.46) BRD4CA1CA2
SCHEMBL29250808 0.80 BRD4 (0.46) CTNNB1BRD4CYP1A2CYP2C9CYP2C19
SCHEMBL8274395 0.78 PTGER4 (0.52) CTNNB1BRD4CYP1A2CYP3A4CYP2C9

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-118084706-A Synthesis method of 2- (4-hydroxyphenoxy) benzamide compound 河北科技大学 2024-05-28 CN disclosed