SCHEMBL17625873

SCHEMBL17625873

COC(OC)[SiH2]C(C)Cc1cccc2sc(SSSSc3nc4c(CC(C)[SiH2]C(OC)OC)cccc4s3)nc12

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.31
ALDH1A1 P00352 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
DRD2 P14416 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
DRD1 P21728 1/20 0.30
MC5R P33032 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
OPRK1 P41145 1/20 0.30
CCR2 P41597 1/20 0.30
HTR6 P50406 1/20 0.30
SLC6A3 Q01959 1/20 0.30
PDK1 Q15118 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL16040592 0.80 FBP1 (0.33) FBP1ALDH1A1ADRA2AADORA3DRD2
SCHEMBL17625872 0.79 ALDH1A1 (0.33) FBP1ALDH1A1ADRA2AADORA3DRD2
SCHEMBL330195 0.78 PTGS2 (0.33) FBP1
SCHEMBL329562 0.71 PTGS2 (0.38) FBP1ALDH1A1ADRA2AADORA3DRD2
SCHEMBL330194 0.70 PTGS2 (0.35) FBP1ALDH1A1ADRA2AADORA3DRD2
SCHEMBL1771423 0.68 MEN1 (0.49) FBP1ALDH1A1ADRA2AADORA3DRD2
SCHEMBL466830 0.67 FBP1 (0.37) FBP1ALDH1A1ADRA2AADORA3DRD2
SCHEMBL6694867 0.66 ALDH1A1 (0.43) FBP1ALDH1A1ADRA2AADORA3DRD2
SCHEMBL28492615 0.64 PTGS2 (0.35) FBP1ALDH1A1
SCHEMBL6693695 0.62 ALDH1A1 (0.63) FBP1ALDH1A1ADRA2AADORA3DRD2

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-3000616-B1 RUBBER COMPOSITION FOR TIRE AND TIRE SUMITOMO RUBBER IND (JP) 2018-06-06 EP disclosed
US-9631075-B2 Rubber composition for tire and tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-04-25 US disclosed
US-20160090474-A1 RUBBER COMPOSITION FOR TIRE AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-03-31 US disclosed
EP-3000616-A1 RUBBER COMPOSITION FOR TIRE AND TIRE Sumitomo Rubber Industries, Ltd. (JP) 2016-03-30 EP disclosed