SCHEMBL11045387

SCHEMBL11045387

COC(COS(C)(=O)=O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LAP3 P28838 1/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA1 P00915 2/20 0.37
MMP1 P03956 2/20 0.37
MMP13 P45452 2/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
SLC6A2 P23975 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL9613931 0.83 KMT2A (0.43) MEN1KMT2ACA2CA9CA1
SCHEMBL4756135 0.81 CA1 (0.40) MEN1KMT2ACA2CA9CA1
SCHEMBL4756128 0.81 CA1 (0.40) MEN1KMT2ACA2CA9CA1
SCHEMBL16169019 0.79 NPC1 (0.43) MEN1KMT2ASLC6A2TAAR1MAOA
SCHEMBL14388004 0.79 NPC1 (0.43) MEN1KMT2ASLC6A2TAAR1MAOA
SCHEMBL5704669 0.78 TAAR1 (0.43) LAP3SLC6A2TAAR1MAOASLC6A4
SCHEMBL14586288 0.78 TRPA1 (0.44) LAP3SLC6A2TAAR1MAOASLC6A4
SCHEMBL6953092 0.78 EPHX1 (0.53) CA2CA9CA1SLC6A2TAAR1
SCHEMBL11044498 0.78 TSHR (0.40) MEN1KMT2ACA2CA9CA1
SCHEMBL13377726 0.78 CA1 (0.46) MEN1KMT2ACA2CA9CA1

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