SCHEMBL30974617

SCHEMBL30974617

NC(=O)c1cc(Cl)ccc1Oc1cccc(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGER4 P35408 2/20 0.45
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
F10 P00742 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
BRD4 O60885 1/20 0.44
IKBKB O14920 2/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SERPINE1 P05121 1/20 0.42
CHUK O15111 1/20 0.42
PTGER2 P43116 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL29251268 1.00 CTNNB1 (0.51) CTNNB1MRGPRX4CYP1A2CYP3A4CYP2C9
SCHEMBL12505440 0.89 CTNNB1 (0.65) CTNNB1MRGPRX4CYP1A2CYP3A4CYP2C9
SCHEMBL8274395 0.87 PTGER4 (0.52) CTNNB1MRGPRX4CYP1A2CYP3A4CYP2C9
SCHEMBL30974583 0.84 PTGER4 (0.48) MRGPRX4PTGER4LMNAL3MBTL1NPSR1
SCHEMBL29250438 0.84 PTGER4 (0.48) MRGPRX4PTGER4LMNAL3MBTL1NPSR1
SCHEMBL30974598 0.84 CTNNB1 (0.55) CTNNB1MRGPRX4SIRT2SIRT1BRD4
SCHEMBL29251266 0.84 CTNNB1 (0.55) CTNNB1MRGPRX4SIRT2SIRT1BRD4
SCHEMBL12505384 0.83 STK39 (0.51) CTNNB1MRGPRX4CYP1A2CYP3A4CYP2C9
SCHEMBL30974593 0.83 THRA (0.51) CTNNB1MRGPRX4CYP1A2CYP3A4CYP2C9
SCHEMBL29250803 0.83 THRA (0.51) CTNNB1MRGPRX4CYP1A2CYP3A4CYP2C9

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