SCHEMBL29066834

SCHEMBL29066834

C=C(C)C(=O)NC(C(N)=O)c1ccc(O)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YARS1 P54577 1/20 0.42
TDP1 Q9NUW8 10/20 0.39
BLM P54132 5/20 0.39
LMNA P02545 4/20 0.39
ADRA1A P35348 2/20 0.39
NR1I2 O75469 1/20 0.39
PTGS1 P23219 1/20 0.39
KDM4E B2RXH2 9/20 0.38
MAPT P10636 7/20 0.38
RECQL P46063 6/20 0.38
HSD17B10 Q99714 5/20 0.38
TSHR P16473 4/20 0.38
HIF1A Q16665 4/20 0.38
NFKB1 P19838 3/20 0.38
THPO P40225 3/20 0.38
KMT2A Q03164 3/20 0.38
APEX1 P27695 2/20 0.38
MTOR P42345 2/20 0.38
POLB P06746 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL20970239 0.80 MMP9 (0.43) TDP1BLMLMNAADRA1AKDM4E
SCHEMBL10722733 0.74 CTSS (0.42) YARS1TDP1BLMLMNAADRA1A
SCHEMBL12608314 0.74 TDP1 (0.42) YARS1TDP1BLMLMNAADRA1A
SCHEMBL12608329 0.71 SHBG (0.46) YARS1TDP1BLMLMNAADRA1A
SCHEMBL12608310 0.70 SHBG (0.44) TDP1BLMLMNAADRA1AKDM4E
SCHEMBL19472346 0.70 LCK (0.49) TDP1BLMLMNAADRA1ANR1I2
SCHEMBL19426174 0.69 TDP1 (0.43) YARS1TDP1BLMLMNAADRA1A
SCHEMBL7361907 0.69 TDP1 (0.46) TDP1BLMLMNAADRA1ANR1I2
SCHEMBL29430086 0.69 TDP1 (0.53) TDP1BLMLMNAADRA1ANR1I2
SCHEMBL28241555 0.69 TDP1 (0.53) TDP1BLMLMNAADRA1ANR1I2

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-116496563-A Preparation method of high-temperature-resistant modified polyethylene composite material 东方思宇福信息科技有限公司 2023-07-28 CN disclosed