SCHEMBL625209

SCHEMBL625209

COC(=O)CC1(CS)CC1.[CsH]

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.37
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL594992 0.98 TSHR (0.46) TSHRHSD17B10TP53MGAMGAA
SCHEMBL17233403 0.84 TSHR (0.46) TSHRHSD17B10TP53MGAMGAA
SCHEMBL3701417 0.82 TSHR (0.43) TSHRHSD17B10TP53MGAMGAA
SCHEMBL5713252 0.80
SCHEMBL13435347 0.78 TSHR (0.40) TSHRHSD17B10TP53MGAMGAA
SCHEMBL15453370 0.78 MGAM (0.48) TSHRHSD17B10TP53MGAMGAA
SCHEMBL1484429 0.78 TSHR (0.40) TSHRHSD17B10TP53MGAMGAA
SCHEMBL6124890 0.78
SCHEMBL3903468 0.78 GAA (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL6128003 0.78 TSHR (0.46) TSHRHSD17B10MGAMGAASI

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
WO-2012020271-A1 PROCESS FOR THE PREPARATION OF MONTELUKAST SODIUM RICHTER GEDEON NYRT. (HU) 2012-02-16 WO disclosed