SCHEMBL9170709

SCHEMBL9170709

C=C(CS)C(=O)OCCC(C)S

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
ALOX15 P16050 1/20 0.33
THRB P10828 1/20 0.32
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
SCHEMBL6065052 0.81 THRB (0.40) TSHRTHRB
SCHEMBL10628321 0.80 TSHR (0.55) TSHRALOX15THRBCHRNB2CHRNA4
SCHEMBL4829187 0.78 TSHR (0.42) TSHRTHRB
SCHEMBL6392986 0.74 TSHR (0.53) TSHRTHRB
SCHEMBL503551 0.74 NAAA (0.47) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9171056 0.73 THRB (0.32) TSHRTHRB
SCHEMBL1275670 0.73 CHRM1 (0.48) TSHRTHRBCHRNB2CHRNA4
SCHEMBL4829385 0.73
SCHEMBL29655367 0.73
SCHEMBL20446689 0.73

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-5424472-A Method of manufacturing a (meth)acryloylthio compound ROEHM GMBH CHEMISCHE FABRIK PATENTABTEILUNG (DE) 1995-06-13 US disclosed