SCHEMBL28833758

SCHEMBL28833758

CNC(=O)OCc1cc(C(C)OCc2cccc(C)c2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 2/20 0.39
SCN9A Q15858 3/20 0.39
SCN5A Q14524 2/20 0.39
FFAR1 O14842 1/20 0.38
POLB P06746 1/20 0.38
TACR1 P25103 1/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MAOB P27338 2/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.34

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
SCHEMBL28833757 0.84 TSHR (0.41) MEN1KMT2AHSP90AA1FFAR1LMNA
SCHEMBL28618252 0.80 MEN1 (0.43) MEN1KMT2AHSP90AA1FFAR1POLB
SCHEMBL14543133 0.76 MEN1 (0.54) MEN1KMT2AHSP90AA1POLBCTSL
SCHEMBL13647270 0.70 SCN5A (0.51) MEN1KMT2ASCN9ASCN5APOLB
SCHEMBL11205908 0.68 MGLL (0.47) MEN1KMT2ALMNASMN1; SMN2MRGPRX4
SCHEMBL16335169 0.68 HPGD (0.43) MEN1KMT2ASCN9ASCN5ALMNA
SCHEMBL27779243 0.68 SCN9A (0.41) MEN1KMT2ASCN9ASCN5AMMP2
SCHEMBL10053121 0.68 EPHX1 (0.52) MEN1KMT2APOLBLMNAMAPT
SCHEMBL23849386 0.67 HCAR2 (0.56) MAOBMMP2MMP9MMP12LMNA
SCHEMBL710702 0.67 POLB (0.57) MEN1KMT2AHSP90AA1FFAR1POLB

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-114867350-A Low volatility polyamine salts of anionic pesticides 巴斯夫公司 2022-08-05 CN disclosed