SCHEMBL31362087

SCHEMBL31362087

COc1ccc(C(C(N)=O)c2cccc(O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
PPARG P37231 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
NLRP3 Q96P20 1/20 0.43
EPHX1 P07099 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
ACP3 P15309 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL4493891 0.84 ACP3 (0.57) MEN1MAPTKMT2ACYP3A4L3MBTL1
SCHEMBL4507705 0.84 CA1 (0.55) MEN1KMT2ACNR1CNR2EPHX1
SCHEMBL6986173 0.80 LMNA (0.43) MEN1MAPTKMT2ACNR1NLRP3
SCHEMBL7813826 0.78 L3MBTL1 (0.52) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5089103 0.77 L3MBTL1 (0.51) L3MBTL1ALDH1A1RAB9APARP1
SCHEMBL10546012 0.76 BRD4 (0.48) MEN1MAPTKMT2ACYP3A4PPARG
SCHEMBL8365159 0.74 PARP1 (0.43) MEN1KMT2ACNR1CNR2MMP1
SCHEMBL8295353 0.73 NR1H4 (0.45) KMT2ACYP3A4PPARGL3MBTL1ALDH1A1
SCHEMBL5515813 0.73 L3MBTL1 (0.50) MEN1MAPTKMT2AL3MBTL1RAB9A
SCHEMBL30493635 0.72 PARP1 (0.54) MEN1MAPTKMT2AL3MBTL1NLRP3

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-116554050-B Amide phenol derivative and application thereof 四川大学 2025-03-18 CN disclosed