SCHEMBL7684838

SCHEMBL7684838

C=CS(=O)(=O)C(C#N)CCCCC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
TRPA1 O75762 1/20 0.30
DDAH1 O94760 1/20 0.30
GAPDH P04406 1/20 0.30
MAPT P10636 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
SCHEMBL30644797 0.77 TP53 (0.39) TP53TSHRZDHHC20ZDHHC2MAPT
SCHEMBL28157148 0.76 TP53 (0.38) TP53TSHR
SCHEMBL2715230 0.75 TP53 (0.41) TP53TSHRZDHHC20ZDHHC2ADH1B
SCHEMBL27533149 0.74 TP53 (0.46) TP53ZDHHC20ZDHHC2MAPT
SCHEMBL22176746 0.73 TP53 (0.39) TP53TSHRADH1BADH1CADH1A
SCHEMBL2547722 0.72 TP53 (0.38) TP53TSHRZDHHC20ZDHHC2ADH1B
SCHEMBL28140286 0.71 TSHR (0.37) TP53TSHR
SCHEMBL7159187 0.69 TP53 (0.39) TP53TSHR
SCHEMBL7158669 0.69 CA2 (0.39) TSHR
SCHEMBL24652820 0.69 TSHR (0.37) TP53TSHRMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399833-B1 CRYSTALLIZATION; DISSOLVING IN SOLVENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-04 US disclosed
EP-1055666-A1 PROCESS FOR PRODUCING ARYL VINYL SULFONE SOLUTION AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2000-11-29 EP disclosed