SCHEMBL7741300

SCHEMBL7741300

OC(=S)SC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.40
PHGDH O43175 3/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
FAAH O00519 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL2807856 1.00 MGLL (0.40) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL11444353 0.81 MGLL (0.39) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL3074321 0.80 MGLL (0.42) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL27685214 0.78
SCHEMBL2583853 0.77 MGLL (0.38) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL27565787 0.76 MGLL (0.39) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL7742834 0.75 MGLL (0.34) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL7742837 0.75 MGLL (0.34) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL11040637 0.74 CA1 (0.38) MGLLPHGDHALDH1A1TP53CYP3A4
Ammonia Solution, Strong SCHEMBL20601168 0.74 MGLL (0.37) MGLLPHGDHALDH1A1TP53CYP3A4

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-6413677-B1 THIOCARBONATE ELECTROLYTE UBE INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed