SCHEMBL8936150

SCHEMBL8936150

CC(C)OC(=O)c1c(CO)no[n+]1[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 3/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PTPN7 P35236 1/20 0.35
RAB9A P51151 2/20 0.35
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TBXA2R P21731 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
SCHEMBL8936076 0.83 GLA (0.44) GLAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL2079547 0.79 GLA (0.58) GLAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL8785780 0.78 GLA (0.33) GLAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL8936017 0.74 CATSPER1 (0.39) GLAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL31094691 0.73 GLA (0.48) GLAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL429693 0.73 CA12 (0.50) GLAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL8785818 0.70 GLA (0.38) GLAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL8785463 0.68 LMNA (0.36) GLAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL8936040 0.67 NPSR1 (0.42) GLAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL11129701 0.67 MAPT (0.36) GLAMAPTSMN1; SMN2ALDH1A1HTT

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-5486531-A ANGINA, HYPOTENSIVE AGENTS, ERECTILE DYSFUNCTION CASSELLA AKTIENGESELLSCHAFT (DE) 1996-01-23 US disclosed