SCHEMBL9690800

SCHEMBL9690800

CCC(=O)OCCCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
PSMD10 O75832 1/20 0.42
STAT3 P40763 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
KMT2A Q03164 4/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL24951911 0.91 CA12 (0.45) ALDH1A1POLBMAPTPSMD10STAT3
SCHEMBL13740848 0.85 PSMD10 (0.44) ALDH1A1PSMD10STAT3CA12CA1
SCHEMBL17941037 0.84 L3MBTL1 (0.48) ALDH1A1POLBMAPTPSMD10STAT3
SCHEMBL890725 0.84 ALDH1A1 (0.50) ALDH1A1PSMD10STAT3CA12CA1
SCHEMBL9675663 0.84 PSMD10 (0.43) ALDH1A1PSMD10STAT3CA12CA1
SCHEMBL5245970 0.83 L3MBTL1 (0.47) HTTALDH1A1POLBMAPTPSMD10
SCHEMBL18919378 0.83 L3MBTL1 (0.47) HTTALDH1A1POLBMAPTPSMD10
SCHEMBL22660135 0.82 L3MBTL1 (0.52) ALDH1A1POLBMAPTPSMD10STAT3
SCHEMBL9673458 0.82 PSMD10 (0.42) ALDH1A1PSMD10STAT3CA12CA1
SCHEMBL20457293 0.82 PSMD10 (0.42) ALDH1A1PSMD10STAT3TDP1CA12

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-0490407-A2 Process for the enzymatic separation of the optical isomers of tosyloxy-alkanols MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1992-06-17 EP disclosed