SCHEMBL11044378

SCHEMBL11044378

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CYP2C19 P33261 1/20 0.34
CYP2D6 P10635 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
PMP22 Q01453 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.33
CYP1A2 P05177 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
SRC P12931 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
Alcohol SCHEMBL11044375 0.93 LMNA (0.35) CYP2C19CYP2D6KMT2AMEN1LMNA
SCHEMBL7516303 0.82 CA12 (0.46) CA1CA2CA9CA12CA7
SCHEMBL28680849 0.82 CA1 (0.38) CA1CA2LMNASLC6A4SMN1; SMN2
SCHEMBL4131267 0.81 SRC (0.40) CA1CA2CA9CA12CA7
SCHEMBL28988716 0.80 GBA1 (0.40) KMT2AMEN1SLC6A2SLC6A4
SCHEMBL27652199 0.80 CA2 (0.39) CA1CA2CA9CA12CA7
SCHEMBL7259968 0.79 TAAR1 (0.45)
SCHEMBL7255641 0.79 TAAR1 (0.45)
SCHEMBL7255639 0.79 TAAR1 (0.45)
SCHEMBL7627455 0.79 CYP1A2 (0.39) CA1CA2CA9CA12CA7

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