SCHEMBL11044362

SCHEMBL11044362

CS(=O)(=O)OCC(C#N)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
TSHR P16473 1/20 0.37
CA12 O43570 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 5/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
PBRM1 Q86U86 1/20 0.33
KMT2A Q03164 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
Alcohol SCHEMBL11044361 0.94 TSHR (0.37) TRPA1TSHRCA12CA7CA9
SCHEMBL7285268 0.85 ALDH1A1 (0.34) TRPA1TSHRCA12CA7CA9
SCHEMBL7516303 0.80 CA12 (0.46) CA12CA7CA9CA1CA2
SCHEMBL17947372 0.79 ESR1 (0.41) TRPA1TSHRCA12CA7CA9
SCHEMBL1096439 0.77 TRPA1 (0.38) TRPA1TSHRALDH1A1CTSLCTSS
SCHEMBL7255639 0.77 TAAR1 (0.45) TRPA1
SCHEMBL7259968 0.77 TAAR1 (0.45) TRPA1
SCHEMBL7255641 0.77 TAAR1 (0.45) TRPA1
SCHEMBL11044364 0.76 TSHR (0.41) TRPA1TSHRCA12CA7CA9
SCHEMBL2542325 0.75 LMNA (0.48) ALDH1A1L3MBTL1KDM4ELMNACYP1A2

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-4490165-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds, methods for preparing same and herbicidal use thereof AMERICAN CYANAMID COMPANY (US) 1984-12-25 US disclosed
US-4308213-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds AMERICAN CYANAMID COMPANY (US) 1981-12-29 US disclosed