SCHEMBL9723100

SCHEMBL9723100

CSC(C)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 3/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX12 P18054 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
RAB9A P51151 2/20 0.43
CYP3A4 P08684 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL30209768 0.82 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL8196836 0.82 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL3130853 0.80 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL13494354 0.80 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL9663454 0.80 POLB (0.49) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL1922201 0.79 SMN1; SMN2 (0.55) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL13494263 0.76 SMN1; SMN2 (0.52) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL1921942 0.76 SMN1; SMN2 (0.52) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL30173716 0.76 SMN1; SMN2 (0.52) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL10874236 0.76 ALDH1A1 (0.52) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1

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
US-5159089-A Using a sulfur methylide compound SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-10-27 US claimed
US-5159089-A Using a sulfur methylide compound SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-10-27 US disclosed