SCHEMBL11041406

SCHEMBL11041406

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.38
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
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 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 SCHEMBL11041405 0.93 LMNA (0.35) MMP13PDE4APDE4BPDE4CPDE4D
SCHEMBL7516303 0.82 CA12 (0.46) CA1CA2CA9CA12CA7
SCHEMBL11044391 0.82 MMP13 (0.39) MMP13CA1CA2CA9PDE4A
SCHEMBL7255639 0.79 TAAR1 (0.45)
SCHEMBL7259968 0.79 TAAR1 (0.45)
SCHEMBL7255641 0.79 TAAR1 (0.45)
SCHEMBL2541606 0.78 LMNA (0.48) CYP1A2CYP2D6ALDH1A1
SCHEMBL11044378 0.78 CA1 (0.36) MMP13CA1CA2CA9CA12
SCHEMBL5159743 0.78 LMNA (0.48) CYP1A2CYP2D6ALDH1A1
SCHEMBL2542325 0.78 LMNA (0.48) CYP1A2CYP2D6ALDH1A1

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