SCHEMBL10522223

SCHEMBL10522223

c1ccc(COc2cccc3c2OCO3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
HTR1A P08908 2/20 0.47
DRD2 P14416 1/20 0.47
FOLH1 Q04609 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
LIPE Q05469 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL16892160 0.84 TDP1 (0.56) MAOBTDP1L3MBTL1KMT2AMAPT
SCHEMBL11871481 0.82 MAOB (0.46) MAOBTDP1L3MBTL1KMT2AMAPT
SCHEMBL16892215 0.82 TDP1 (0.57) MAOBTDP1L3MBTL1KMT2AHTR1A
SCHEMBL27359305 0.80 MAOB (0.49) MAOBTDP1L3MBTL1KMT2AMAPT
SCHEMBL28295913 0.79 TP53 (0.57) TDP1L3MBTL1KMT2AFOLH1MEN1
SCHEMBL13534203 0.78 AOC3 (0.54) KMT2AHTR1AGAAMEN1ALDH1A1
SCHEMBL11039239 0.78 HTR1A (0.41) TDP1L3MBTL1KMT2AMAPK1HTR1A
SCHEMBL28295914 0.77 KMT2A (0.40) TDP1L3MBTL1KMT2AMAPTMAPK1
SCHEMBL11874991 0.77 LTB4R (0.41) MAOBTDP1L3MBTL1KMT2AMAPT
SCHEMBL10523332 0.76 MAOB (0.44) MAOBTDP1L3MBTL1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109651190-A A kind of synthetic method of kresoxim-methyl 京博农化科技有限公司 2019-04-19 CN disclosed
US-4840965-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1989-06-20 US disclosed