SCHEMBL7329017

SCHEMBL7329017

CC1COC(COP(=O)(O)O)CO1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRM4 P08173 1/20 0.43
FBP1 P09467 1/20 0.40
ENPP2 Q13822 8/20 0.38
LPAR2 Q9HBW0 4/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
AMDHD2 Q9Y303 1/20 0.33
PGD P52209 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1987367 0.86
SCHEMBL18632674 0.84 FBP1 (0.48) FBP1ENPP2LPAR2ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL27763541 0.84 FBP1 (0.48) FBP1ENPP2LPAR2ALDH1A1TSHR
SCHEMBL17135306 0.81 ENPP2 (0.43) FBP1ENPP2LPAR2ALDH1A1TSHR
SCHEMBL14515947 0.80 ENPP2 (0.43) CHRM2CHRM5CHRM3CHRM4FBP1
SCHEMBL14515961 0.80 ENPP2 (0.43) CHRM2CHRM5CHRM3CHRM4FBP1
SCHEMBL7797068 0.79 ENPP2 (0.42) FBP1ENPP2LPAR2ALDH1A1TSHR
SCHEMBL17135204 0.78 ENPP2 (0.48) FBP1ENPP2LPAR2ALDH1A1SMN1; SMN2
Dodecane SCHEMBL9803677 0.76 ENPP2 (0.57) ENPP2LPAR2ALDH1A1SMN1; SMN2
SCHEMBL23470285 0.74 FBP1 (0.44) FBP1ENPP2LPAR2ALDH1A1TP53

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
EP-0335396-A1 Glycero-phosphoric and -diphosphoric acids derivatives of L-carnitine or L-carnitine esters MAGIS FARMACEUTICI S.p.A. (IT) 1989-10-04 EP disclosed