SCHEMBL9712004

SCHEMBL9712004

O=Cc1cccc(SCCO)c1SCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
S100A4 P26447 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CDC25A P30304 2/20 0.36
CDC25B P30305 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
APAF1 O14727 1/20 0.36
MAP2K7 O14733 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
TDP2 O95551 1/20 0.36

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
SCHEMBL979786 0.84 MEN1 (0.44) ERN1SMN1; SMN2S100A4MEN1LMNA
SCHEMBL4435395 0.73 LMNA (0.41) ERN1MEN1LMNATHRBBLM
SCHEMBL8772079 0.70 HTR7 (0.49) SMN1; SMN2S100A4MEN1LMNATHRB
SCHEMBL10785689 0.70 CA2 (0.50) SMN1; SMN2TDP1MAPTALDH1A1TSHR
SCHEMBL29594315 0.70 S100A4 (0.50) SMN1; SMN2S100A4MEN1LMNATHRB
SCHEMBL10035839 0.70 S100A4 (0.50) SMN1; SMN2S100A4MEN1LMNATHRB
SCHEMBL22083867 0.69 S100A4 (0.39) SMN1; SMN2S100A4MEN1LMNATHRB
SCHEMBL10425064 0.69 CA2 (0.41) SMN1; SMN2S100A4MEN1LMNATHRB
SCHEMBL25413385 0.69 MAPK1 (0.41) SMN1; SMN2S100A4MEN1LMNATHRB
SCHEMBL9711982 0.68 LMNA (0.48) ERN1SMN1; SMN2MEN1LMNATHRB

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-0309839-B1 PROCESS FOR THE PREPARATION OF OXYETHYL MERCAPTOBENZALDEHYDES, AND THEIR OXIDATION PRODUCTS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-04 EP claimed