SCHEMBL28612031

SCHEMBL28612031

CCCOCC(C)OCC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
HSD17B10 Q99714 1/20 0.47
CES2 O00748 1/20 0.41
PLA2G2C Q5R387 1/20 0.33
USP2 O75604 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
LPAR5 Q9H1C0 1/20 0.30

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
SCHEMBL23064093 0.89 CES2 (0.52) TDP1CES2PLA2G2CUSP2CYP1A2
SCHEMBL23064092 0.89 CES2 (0.52) TDP1CES2PLA2G2CUSP2CYP1A2
SCHEMBL23064088 0.87 CES2 (0.59) TDP1CES2PLA2G2CUSP2CYP1A2
SCHEMBL23064087 0.87 CES2 (0.59) TDP1CES2PLA2G2CUSP2CYP1A2
SCHEMBL26073726 0.86 CES2 (0.42) TDP1HSD17B10CES2ALDH1A1
SCHEMBL28485068 0.86 CES2 (0.62) TDP1CES2PLA2G2CUSP2HTT
SCHEMBL1172373 0.85 TDP1 (0.58) TDP1HSD17B10PLA2G2CUSP2CYP1A2
SCHEMBL16174672 0.84 CES2 (0.38) TDP1CES2ALDH1A1
SCHEMBL2946939 0.81 TDP1 (0.59) TDP1HSD17B10PLA2G2CUSP2
SCHEMBL2944561 0.81 TDP1 (0.59) TDP1HSD17B10PLA2G2CUSP2

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-113207292-B Water-based polyurethane dispersions and their preparation 陶氏环球技术有限责任公司 2023-09-19 CN claimed
CN-113207292-A Aqueous polyurethane dispersions and their preparation 陶氏环球技术有限责任公司 2021-08-03 CN claimed
CN-113207292-B Water-based polyurethane dispersions and their preparation 陶氏环球技术有限责任公司 2023-09-19 CN disclosed
CN-113207292-A Aqueous polyurethane dispersions and their preparation 陶氏环球技术有限责任公司 2021-08-03 CN disclosed