SCHEMBL28334166

SCHEMBL28334166

COC(=O)Cc1ccccc1COc1cnc(C(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SYK P43405 1/20 0.37
CYP1A2 P05177 1/20 0.36
GABRA5 P31644 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 2/20 0.35
HCRTR1 O43613 5/20 0.35
LIPE Q05469 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MITF O75030 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL31287376 0.84 SYK (0.43) HPGDALDH1A1MAPTTDP1SYK
SCHEMBL7777172 0.84 SYK (0.43) HPGDALDH1A1MAPTTDP1SYK
SCHEMBL31287377 0.84 SYK (0.43) HPGDALDH1A1MAPTTDP1SYK
SCHEMBL28336662 0.77 HCRTR1 (0.37) GABRA5MAOAMAOBHCRTR1HCRTR2
SCHEMBL5997732 0.77 CYP1A2 (0.40) HPGDALDH1A1MAPTTDP1SYK
SCHEMBL8723192 0.76 POLQ (0.46) HPGDALDH1A1MAPTTDP1LMNA
SCHEMBL28336660 0.76 HIF1A (0.38) HCRTR1HCRTR2
SCHEMBL7784447 0.76 TDP1 (0.44) HPGDALDH1A1TDP1GABRA5LMNA
SCHEMBL5997860 0.75 SYK (0.39) HPGDALDH1A1MAPTTDP1SYK
SCHEMBL1554320 0.72 KDM4E (0.53) HPGDALDH1A1MAPTTDP1LMNA

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-102115458-B Synthetic method of 3-methoxy-2-aryl methyl acrylate compound 大连九信精细化工有限公司 2019-12-13 CN disclosed