SCHEMBL23064087

SCHEMBL23064087

CCCCCOCC(C)OCC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.59
PLA2G2C Q5R387 7/20 0.46
TDP1 Q9NUW8 1/20 0.44
USP2 O75604 1/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR3 Q9UBY5 2/20 0.43
SPHK1 Q9NYA1 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
TLR2 O60603 2/20 0.40

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
SCHEMBL28485068 0.98 CES2 (0.62) CES2PLA2G2CTDP1USP2LPAR1
SCHEMBL28612031 0.87 TDP1 (0.58) CES2PLA2G2CTDP1USP2HTT
SCHEMBL26073726 0.82 CES2 (0.42) CES2TDP1
SCHEMBL1172462 0.81 TDP1 (0.46) CES2PLA2G2CTDP1USP2LPAR1
SCHEMBL10596660 0.80 CES2 (0.61) CES2PLA2G2CUSP2LPAR1LPAR3
SCHEMBL6531007 0.80 TDP1 (0.46) CES2PLA2G2CTDP1USP2LPAR1
SCHEMBL19064961 0.80 TDP1 (0.46) CES2PLA2G2CTDP1USP2LPAR1
SCHEMBL3419031 0.79 TDP1 (0.50) TDP1USP2LPAR1LPAR3SPHK1
SCHEMBL16174672 0.79 CES2 (0.38) CES2TDP1
SCHEMBL896773 0.79 PLA2G2C (0.47) CES2PLA2G2CTDP1USP2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111988993-B Emulsifiable concentrates 陶氏环球技术有限责任公司 2022-12-20 CN disclosed
EP-3787402-A1 EMULSIFIABLE CONCENTRATES Dow Global Technologies, LLC (US) 2021-03-10 EP disclosed
CN-111988993-A Emulsifiable concentrates 陶氏环球技术有限责任公司 2020-11-24 CN disclosed