SCHEMBL11517632

SCHEMBL11517632

CC(=O)OCC(COC(C)=O)OC(=O)CP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.41
LPAR1 Q92633 4/20 0.41
ENPP2 Q13822 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PRKCA P17252 4/20 0.38
LPAR2 Q9HBW0 2/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
Triacetin SCHEMBL9705802 0.79 TDP1 (0.47) LPAR3LPAR1ENPP2SMN1; SMN2TDP1
SCHEMBL3283984 0.76 LAP3 (0.38) LPAR3LPAR1ENPP2SMN1; SMN2TDP1
SCHEMBL15695764 0.76 ALDH1A1 (0.47) LPAR3LPAR1ENPP2SMN1; SMN2TDP1
SCHEMBL11517339 0.76 ALDH1A1 (0.74) LPAR3LPAR1ENPP2SMN1; SMN2ALDH1A1
Triacetin SCHEMBL9420949 0.76 TDP1 (0.44) LPAR3LPAR1ENPP2SMN1; SMN2TDP1
Triacetin SCHEMBL821340 0.75 TDP1 (0.56) SMN1; SMN2TDP1ALDH1A1LMNAPRKCA
Triacetin SCHEMBL3870 0.75 TDP1 (0.56) SMN1; SMN2TDP1ALDH1A1LMNAPRKCA
SCHEMBL11516009 0.75 TDP1 (0.42) TDP1ALDH1A1LMNAPRKCA
SCHEMBL20793424 0.75 TDP1 (0.42) TDP1ALDH1A1LMNAPRKCACYP2C19
SCHEMBL23219279 0.74 PGD (0.45) LPAR3LPAR1ENPP2SMN1; SMN2TDP1

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-4150125-A HERPES VIRUS ABBOTT LABORATORIES (US) 1979-04-17 US disclosed