SCHEMBL11041732

SCHEMBL11041732

CS(=O)(=O)OCC(c1ccccc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
PARP1 P09874 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
NR1I2 O75469 1/20 0.33
TACR1 P25103 1/20 0.33
MMP13 P45452 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 SCHEMBL11041728 0.94 NR1H2 (0.34) CA12CA1CA2CA7CA9
SCHEMBL7516303 0.78 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL11044378 0.77 CA1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL7255639 0.75 TAAR1 (0.45)
SCHEMBL7259968 0.75 TAAR1 (0.45)
SCHEMBL7255641 0.75 TAAR1 (0.45)
SCHEMBL11041734 0.75 KMT2A (0.40)
SCHEMBL7627455 0.75 CYP1A2 (0.39) CA12CA1CA2CA7CA9
SCHEMBL2542325 0.74 LMNA (0.48)
SCHEMBL11041406 0.74 MMP13 (0.38) CA12CA1CA2CA7CA9

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