SCHEMBL28053344

SCHEMBL28053344

C=C(Cl)CC(=O)O.C=CC(=C)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
Butadiene SCHEMBL28129794 0.87 ALOX15 (0.44) ALOX15HSD17B10LDHASRRLMNA
SCHEMBL776504 0.87
SCHEMBL28100165 0.84 ALOX15 (0.48) ALOX15HSD17B10LDHASRRLMNA
SCHEMBL27996425 0.78 ALOX15 (0.47) ALOX15HSD17B10LMNATSHRALDH1A1
SCHEMBL28835535 0.76 ALOX15 (0.36) ALOX15HSD17B10LDHASRR
SCHEMBL16325010 0.72 ALDH1A1 (0.41) ALDH1A1GRIK1GRIK2
SCHEMBL18896602 0.71 ALOX15 (0.45) ALOX15HSD17B10LDHASRRLMNA
SCHEMBL504030 0.70
Itaconate SCHEMBL8029816 0.70 ALOX15 (0.87) ALOX15HSD17B10LDHASRRLMNA
SCHEMBL5450080 0.70 ALOX15 (0.43) ALOX15HSD17B10LDHASRRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109789717-A Ink-jet printing method for decorating surfaces 爱克发有限公司 2019-05-21 CN claimed
CN-109789717-A Ink-jet printing method for decorating surfaces 爱克发有限公司 2019-05-21 CN disclosed
CN-106488847-B Laser markable materials and documents 爱克发-格法特公司 2018-10-16 CN disclosed
CN-102617775-B Vinyl chloride-based resin, manufacture method and ink NISHIN CHEMICAL INDUSTRY CO. LT (JP) 2016-04-13 CN disclosed