SCHEMBL8943729

SCHEMBL8943729

O=C(O)C(CS)CC(Cl)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.46
CPB2 Q96IY4 4/20 0.43
CPA3 P15088 1/20 0.41
CPN1 P15169 2/20 0.37
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 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
SCHEMBL11381471 0.85 CHRM1 (0.38) FOLH1CPB2
SCHEMBL20121913 0.78 CPB2 (0.50) FOLH1CPB2CPA3CPN1PTGS1
SCHEMBL3946972 0.76 CA2 (0.46)
SCHEMBL350816 0.76
SCHEMBL9705724 0.73 FOLH1 (0.56) FOLH1CPA3
SCHEMBL2160766 0.71 SLC1A1 (0.57)
SCHEMBL2160768 0.71 SLC1A1 (0.57)
SCHEMBL2440247 0.71 FOLH1 (0.71) FOLH1CPB2CPA3CPN1PTGS1
SCHEMBL8923812 0.70 CA2 (0.61)
SCHEMBL4767383 0.70 CPB2 (0.57) CPB2

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-5587475-A HAVING FUNCTIONALIZED SIDE CHAIN CONTAINING THIOETHER LINKAGE AND REACTIVE CARBOXYLATE GROUP UNIVERSITY OF NOTRE DAME (US) 1996-12-24 US disclosed