SCHEMBL14628573

SCHEMBL14628573

CS(=O)(=O)c1ccc(C2OCCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
PTGS2 P35354 8/20 0.41
PTGS1 P23219 3/20 0.41
AKR1C3 P42330 1/20 0.41
HTT P42858 1/20 0.40
RIPK1 Q13546 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL1583079 0.78 CHRM2 (0.50) ENPP2PTGS2PTGS1
SCHEMBL9451016 0.78 MEN1 (0.44) HTT
SCHEMBL27596080 0.77 PKM (0.53) HTT
SCHEMBL27810182 0.73 ALDH1A1 (0.49) ENPP2PTGS2PTGS1AKR1C3RIPK1
SCHEMBL6283941 0.73 KMT2A (0.44) ENPP2PTGS2
SCHEMBL13176976 0.72 PTGS2 (0.51) ENPP2PTGS2PTGS1HTTGPR119
SCHEMBL2376239 0.72 ENPP2 (0.72) ENPP2PTGS2
SCHEMBL30172475 0.72 ENPP2 (0.43) ENPP2PTGS2PTGS1AKR1C3RIPK1
SCHEMBL15771678 0.72 CA2 (0.43) PTGS2HTT
SCHEMBL5342271 0.72 CCNB2 (0.38) HTT

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-7166585-B2 24-Sulfur-substituted analogs of 1α,25-dihydroxy vitamin D3 CYTOCHROMA INC. (CA) 2007-01-23 US disclosed