SCHEMBL14035690

SCHEMBL14035690

O=C(OCc1ccc2ccccc2c1)C(F)(F)OOS

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 3/20 0.40
CYP1A2 P05177 1/20 0.38
TACR1 P25103 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PTPN1 P18031 2/20 0.37
SLC13A5 Q86YT5 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PTPRC P08575 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
SCHEMBL14035725 0.88 CYP1A2 (0.42) RAB9ANPC1GAAMAPTXBP1
SCHEMBL14035687 0.87 CYP1A2 (0.43) CYP1A2HDAC1HDAC8SLC13A5
SCHEMBL14035682 0.83 ALDH1A1 (0.47) SMN1; SMN2TDP1PTPN1PTPRC
SCHEMBL14035905 0.81 MTNR1A (0.37) GAATDP1HDAC1HDAC8
SCHEMBL12128697 0.80 ALOX5 (0.46) SLC1A3SLC1A2SLC1A1RAB9ANPC1
SCHEMBL14035923 0.79 PPARG (0.48) RAB9ANPC1GAAMAPTXBP1
SCHEMBL24142227 0.79 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1RAB9ANPC1
SCHEMBL14035722 0.78 EPHX1 (0.44) NPC1TDP1CYP1A2TACR1HDAC1
SCHEMBL2077979 0.78 ALOX5 (0.44) SLC1A3SLC1A2SLC1A1RAB9ANPC1
SCHEMBL14035685 0.77 KMT2A (0.47) NPC1MAPTSMN1; SMN2TDP1CYP1A2

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-20080274426-A1 Using acrylic ester and sulfonium said salt; high resolution semiconductors; microfabrication patterns; excimer laser lithography SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-11-06 US disclosed