SCHEMBL7758178

SCHEMBL7758178

C/C(=C\CS(=O)(=O)c1ccccc1)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.50
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
S1PR2 O95136 1/20 0.47
LMNA P02545 1/20 0.47
PRNP P04156 1/20 0.47
XBP1 P17861 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSD11B1 P28845 5/20 0.44
TRPA1 O75762 1/20 0.41
BCAT1 P54687 1/20 0.41

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
SCHEMBL7758181 1.00 PSIP1 (0.50) PSIP1MAPTALDH1A1TP53SMN1; SMN2
SCHEMBL8251533 0.87 PSIP1 (0.53) PSIP1MAPTALDH1A1TP53SMN1; SMN2
SCHEMBL7520847 0.86 PSIP1 (0.47) PSIP1MAPTALDH1A1TP53SMN1; SMN2
SCHEMBL7520850 0.86 PSIP1 (0.47) PSIP1MAPTALDH1A1TP53SMN1; SMN2
SCHEMBL11066021 0.86 PSIP1 (0.47) PSIP1MAPTALDH1A1TP53SMN1; SMN2
SCHEMBL8231248 0.86 PSIP1 (0.47) PSIP1MAPTALDH1A1TP53SMN1; SMN2
SCHEMBL7758163 0.85 PSIP1 (0.54) PSIP1MAPTALDH1A1TP53SMN1; SMN2
SCHEMBL16653887 0.82 MAPT (0.47) PSIP1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1071264 0.82 MAPT (0.47) PSIP1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1071266 0.82 MAPT (0.47) PSIP1MAPTALDH1A1SMN1; SMN2LMNA

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-2001062719-A1 SELECTIVE OXIDATION OF SULFIDES BY THE USE OF AN OXIDANT SYSTEM CONSISTING OF LITHIUM MOLIBDENATE NIOBATE AND HYDROGEN PEROXIDE KOO SANGHO (KR) 2001-08-30 WO disclosed