SCHEMBL8649237

SCHEMBL8649237

CCOC(C)Oc1cccc([S+](c2cccc(OC(C)OCC)c2)c2cccc(OC(C)OCC)c2)c1.O=S(=O)([O-])CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.37
NPSR1 Q6W5P4 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
CCR6 P51684 1/20 0.31
KMT2A Q03164 1/20 0.31
IDH2 P48735 1/20 0.31
MAOB P27338 1/20 0.31
PTPN5 P54829 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8649691 0.97 GRM2 (0.36) GRM2NPSR1PPARGPPARAALDH1A1
SCHEMBL8644969 0.91 GRM2 (0.36) GRM2ALDH1A1
SCHEMBL8649082 0.86 DAGLA (0.31) L3MBTL1
SCHEMBL8649489 0.85
SCHEMBL8320379 0.84 KAT6A (0.34) PPARGPPARAALDH1A1
SCHEMBL8651776 0.84 CA2 (0.34) NPSR1ALDH1A1MEN1MAPTALOX12
SCHEMBL8318530 0.83 LMNA (0.35) ALDH1A1MEN1GAAKMT2AL3MBTL1
SCHEMBL8649883 0.81 KAT6A (0.33) ALDH1A1MEN1KMT2A
SCHEMBL8646466 0.79 CETP (0.37) GRM2MAOB
SCHEMBL8649240 0.79 L3MBTL1 (0.43) ALDH1A1MEN1GAAMAPTKMT2A

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-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 US disclosed