SCHEMBL6449683

SCHEMBL6449683

COCOC(c1ccccc1)(C1CCCCC1)S(N)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
POLB P06746 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CHRM2 P08172 9/20 0.36
CHRM1 P11229 9/20 0.36
CHRM3 P20309 7/20 0.36
CHRM4 P08173 6/20 0.36
KCNH2 Q12809 4/20 0.35
CYP2D6 P10635 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A3 Q01959 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 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
SCHEMBL6453670 0.75 POLB (0.44) KIF11POLBKEAP1NFE2L2CHRM2
SCHEMBL6452030 0.75 CHRM2 (0.46) POLBKEAP1NFE2L2CHRM2CHRM1
SCHEMBL3813339 0.70 KEAP1 (0.46) KIF11KEAP1NFE2L2CHRM2CHRM1
SCHEMBL28422850 0.66 CHRM2 (0.42) POLBKEAP1NFE2L2CHRM2CHRM1
SCHEMBL10370745 0.65 CHRM2 (0.58) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL15412916 0.65 KEAP1 (0.46) KIF11KEAP1NFE2L2CHRM2CHRM1
SCHEMBL28428386 0.64 CHRM2 (0.43) POLBKEAP1NFE2L2CHRM2CHRM1
SCHEMBL21633894 0.64 NPY2R (0.36) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL25610774 0.63 CHRM2 (0.58) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL27969478 0.63 CHRM2 (0.58) KEAP1NFE2L2CHRM2CHRM1CHRM3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP disclosed