SCHEMBL11039745

SCHEMBL11039745

Cc1ccc(CCOS(C)(=O)=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
PYCR1 P32322 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 SCHEMBL11039743 0.94 KDM4E (0.39) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL3593821 0.86 TAAR1 (0.50) KDM4EALDH1A1NR3C1NR3C2LMNA
SCHEMBL11042066 0.80 KDM4E (0.41) KDM4EALDH1A1LMNAUSP2MMP9
SCHEMBL3589537 0.79 TAAR1 (0.47) KDM4EALDH1A1LMNAUSP2MMP9
SCHEMBL17643085 0.77 TAAR1 (0.47) KDM4EALDH1A1NR3C1NR3C2LMNA
Alcohol SCHEMBL11042063 0.75 NPSR1 (0.38) KDM4EALDH1A1LMNAUSP2MMP9
SCHEMBL6547406 0.74 TAAR1 (0.48) KDM4EALDH1A1LMNAUSP2PYCR1
SCHEMBL23782510 0.74 MMP9 (0.43) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL6991225 0.74 CA1 (0.48) KDM4EALDH1A1LMNAUSP2MMP9
SCHEMBL6280803 0.74 HTR2A (0.58) ALDH1A1NR3C1PGRNR3C2LMNA

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