SCHEMBL25628009

SCHEMBL25628009

COC(COC(C)=O)COC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ENPP2 Q13822 8/20 0.40
LPAR6 P43657 3/20 0.39
LPAR1 Q92633 3/20 0.39
LPAR4 Q99677 3/20 0.39
LPAR5 Q9H1C0 3/20 0.39
LPAR2 Q9HBW0 3/20 0.39
LPAR3 Q9UBY5 3/20 0.39
PRKCA P17252 1/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL7705538 0.93 TDP1 (0.41) TDP1ALDH1A1LMNAHSD17B10ENPP2
SCHEMBL10338761 0.88 PRKCA (0.43) TDP1ALDH1A1LMNAHSD17B10PRKCA
SCHEMBL139623 0.88 ALDH1A1 (0.44) TDP1ALDH1A1LMNAHSD17B10ENPP2
SCHEMBL144017 0.84 TDP1 (0.42) TDP1ALDH1A1LMNAHSD17B10ENPP2
SCHEMBL28994093 0.83 TDP1 (0.41) TDP1ALDH1A1LMNAHSD17B10ENPP2
SCHEMBL19258321 0.83 TDP1 (0.41) TDP1ALDH1A1LMNAHSD17B10ENPP2
SCHEMBL10481459 0.81 TDP1 (0.46) TDP1ALDH1A1LMNAHSD17B10PRKCA
SCHEMBL23888850 0.81 TDP1 (0.40) TDP1ALDH1A1LMNAHSD17B10ENPP2
SCHEMBL13922615 0.80 AKT1 (0.40) ALDH1A1ENPP2LPAR6LPAR1LPAR4
SCHEMBL14145062 0.80 TDP1 (0.43) TDP1ALDH1A1LMNAHSD17B10PRKCA

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
US-20230193012-A1 Polyvinyl Chloride Bio-Plasticizer Compositions Baerlocher USA (US) 2023-06-22 US disclosed