SCHEMBL3384751

SCHEMBL3384751

CC(=S)OC(C)(C)c1ccccc1.CC(=S)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.44
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
ELANE P08246 4/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.31
KCNN4 O15554 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
SCHEMBL761789 0.81 CA4 (0.43) ALDH1A1ALOX15MAPTL3MBTL1TDP1
SCHEMBL2374211 0.79 ELANE (0.42) ALDH1A1ALOX15MAPTL3MBTL1TDP1
SCHEMBL27990554 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTL3MBTL1TDP1
SCHEMBL1813751 0.75 ALDH1A1 (0.48) ALDH1A1ALOX15MAPK1MAPTL3MBTL1
Methane SCHEMBL7949344 0.74 ALDH1A1 (0.56) ALDH1A1ALOX15MAPK1MAPTL3MBTL1
Acetic Acid SCHEMBL23581538 0.72 ALDH1A1 (0.54) ALDH1A1ALOX15MAPK1MAPTL3MBTL1
SCHEMBL6552317 0.71 ALDH1A1 (0.58) ALDH1A1ALOX15MAPK1MAPTL3MBTL1
SCHEMBL22772245 0.71 ALDH1A1 (0.52) ALDH1A1ALOX15MAPK1MAPTL3MBTL1
Ethane SCHEMBL984516 0.70 ALDH1A1 (0.56) ALDH1A1ALOX15MAPK1MAPTL3MBTL1
SCHEMBL3108654 0.70 ALDH1A1 (0.56) ALDH1A1ALOX15MAPK1MAPTCYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279074-A1 PROCESS FOR PREPARING A POLYMERIC RELIEF STRUCTURE STICHTING DUTCH POLYMER INSTITUTE (NL) 2010-11-04 US disclosed
EP-2156247-B1 PROCESS FOR PREPARING A POLYMERIC RELIEF STRUCTURE STICHTING DUTCH POLYMER INST (NL) 2010-11-03 EP disclosed
EP-2156247-A1 PROCESS FOR PREPARING A POLYMERIC RELIEF STRUCTURE Stichting Dutch Polymer Institute (NL) 2010-02-24 EP disclosed
EP-2019336-A1 Process for preparing a polymeric relief structure Stichting Dutch Polymer Institute (NL) 2009-01-28 EP disclosed
WO-2008151915-A1 PROCESS FOR PREPARING A POLYMERIC RELIEF STRUCTURE STICHTING DUTCH POLYMER INSTITUTE (NL) 2008-12-18 WO disclosed