SCHEMBL11039747

SCHEMBL11039747

Cc1ccc(CC(C)OS(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
CNR2 P34972 2/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CA7 P43166 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ACACB O00763 1/20 0.36
RECQL P46063 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
Alcohol SCHEMBL11040101 0.93 PPARG (0.38) CA2CA1CA9PPARGPPARA
SCHEMBL21378558 0.85 TAAR1 (0.47) KMT2A
SCHEMBL22441312 0.85 TAAR1 (0.47) KMT2A
SCHEMBL3589541 0.85 TAAR1 (0.47) KMT2A
SCHEMBL28572268 0.84 TRPA1 (0.44) CA2CA1CA9PPARGPPARA
SCHEMBL11848566 0.84 SLC6A2 (0.48) PPARGPPARAKMT2AACACB
SCHEMBL11042068 0.81 PSMB5 (0.38) TDP1ALDH1A1
SCHEMBL3593823 0.80 NR3C1 (0.44) NR3C1PGRNR3C2KMT2AALDH1A1
SCHEMBL1741909 0.80 KMT2A (0.45) CA2CA1PPARGPPARAKMT2A
SCHEMBL27669830 0.80 MAPT (0.44) CA2CA1CA9BCHEACHE

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