SCHEMBL3633535

SCHEMBL3633535

C#CCCCCC(C(=O)O)S(=O)(=O)CCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
USP2 O75604 2/20 0.31
CYP3A4 P08684 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1017635 0.84 USP2 (0.36) MAPTUSP2CYP3A4MEN1ALDH1A1
SCHEMBL1017160 0.83 USP2 (0.38) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3634857 0.81
SCHEMBL1015788 0.80 ACHE (0.33) MAPTUSP2CYP3A4MEN1ALDH1A1
SCHEMBL2135412 0.79 GPR84 (0.41) MAPTMAPK1
SCHEMBL1016542 0.75 PSEN1 (0.30)
SCHEMBL2138980 0.75 MMP2 (0.37) MAPT
SCHEMBL1020300 0.74 USP2 (0.30) USP2CYP3A4SMN1; SMN2
SCHEMBL1017479 0.74 USP2 (0.30) USP2CYP3A4SMN1; SMN2
SCHEMBL2430667 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152668-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD Sumitomo Chemical Company, Limited (JP) 2010-02-17 EP disclosed
WO-2008143338-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-11-27 WO disclosed