SCHEMBL978884

SCHEMBL978884

O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P([O-])(O)F.O=c1c2ccccc2oc2ccc([S+](c3ccccc3)c3ccccc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.48
MAOA P21397 5/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
PGAM1 P18669 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TBK1 Q9UHD2 1/20 0.41
ACSL1 P33121 4/20 0.41
ACSL6 Q9UKU0 3/20 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
SCHEMBL5040572 0.87 MAOA (0.58) TTRMAOANPC1RAB9APOLB
Bromide SCHEMBL3517188 0.86 MAOA (0.56) TTRMAOANPC1RAB9APOLB
Hydrochloric Acid SCHEMBL3519843 0.86 MAOA (0.56) TTRMAOANPC1RAB9APOLB
Acetic Acid SCHEMBL3523609 0.85 NPC1 (0.58) TTRMAOANPC1RAB9APOLB
Perchlorate SCHEMBL3523572 0.84 MAOA (0.51) TTRMAOANPC1RAB9APOLB
SCHEMBL3522120 0.84 MAOA (0.51) TTRMAOANPC1RAB9APOLB
Trifluoromethanesulfonic Acid SCHEMBL3523580 0.81 TTR (0.45) TTRMAOANPC1RAB9APOLB
SCHEMBL3520322 0.80 TTR (0.47) TTRMAOANPC1RAB9APOLB
SCHEMBL3525762 0.80 TTR (0.49) TTRMAOANPC1RAB9APOLB
SCHEMBL3519149 0.79 TTR (0.43) TTRMAOANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1739485-B1 RESIST COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2016-08-31 EP disclosed
US-7871751-B2 Resist composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-01-18 US disclosed
US-20080153031-A1 Resist composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-06-26 US disclosed
EP-1739485-A1 RESIST COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-01-03 EP disclosed