SCHEMBL11045152

SCHEMBL11045152

CCOC(=O)c1ccc(CCOS(C)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
RECQL P46063 1/20 0.54
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA12 O43570 1/20 0.51
ESR1 P03372 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
ESR2 Q92731 1/20 0.51
CA14 Q9ULX7 1/20 0.51
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAOA P21397 1/20 0.50
STS P08842 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.47

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 SCHEMBL11045150 0.97 HPGD (0.51) HPGDRECQLCA1CA2CA12
SCHEMBL6333378 0.91 HPGD (0.51) HPGDRECQLCA1CA2CA12
SCHEMBL13249250 0.84 CYP4A11 (0.57) HPGDCA1CA2CA12CA7
SCHEMBL14992864 0.83 CYP4F2 (0.63) HPGDCA1CA2CA12CA7
SCHEMBL12199135 0.82 CA1 (0.68) HPGDRECQLCA1CA2CA12
SCHEMBL11039771 0.81 KMT2A (0.50) HPGDCA1CA2CA9LMNA
SCHEMBL3142520 0.81 KMT2A (0.51) CA1CA2CA9SMN1; SMN2POLB
SCHEMBL1962850 0.81 TDP1 (0.60) HPGDRECQLCA1CA2CA12
SCHEMBL8872699 0.81 CA1 (0.54) HPGDRECQLCA1CA2CA12
SCHEMBL3126755 0.81 CA1 (0.48) CA1CA2CA12ESR1CA9

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