SCHEMBL9701518

SCHEMBL9701518

COC(CC(CO)COC(C)=O)OC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PRKCA P17252 3/20 0.32
USP2 O75604 3/20 0.32
CYP3A4 P08684 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9701511 1.00 TDP1 (0.36) TDP1ALDH1A1LMNAHSD17B10PRKCA
SCHEMBL712328 0.81 ALDH1A1 (0.40) TDP1ALDH1A1LMNAHSD17B10PRKCA
SCHEMBL13459987 0.81 TDP1 (0.45) TDP1ALDH1A1LMNAHSD17B10PRKCA
SCHEMBL5358516 0.81 TDP1 (0.45) TDP1ALDH1A1LMNAHSD17B10PRKCA
SCHEMBL9527402 0.78 TSHR (0.32) TDP1ALDH1A1LMNA
SCHEMBL784658 0.77 TDP1 (0.45) TDP1ALDH1A1LMNAHSD17B10USP2
SCHEMBL9619979 0.76 TET2 (0.34) TDP1ALDH1A1LMNAUSP2CYP3A4
SCHEMBL12905144 0.75 ALDH1A1 (0.44) TDP1ALDH1A1LMNAHSD17B10PRKCA
SCHEMBL12905143 0.75 ALDH1A1 (0.44) TDP1ALDH1A1LMNAHSD17B10PRKCA
SCHEMBL1237982 0.75 ALDH1A1 (0.44) 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
WO-1992014693-A1 METHOD OF PREPARATION OF PILOCARPINES AND INTERMEDIATES THEREOF MACFARLAN SMITH LIMITED (GB) 1992-09-03 WO disclosed