SCHEMBL6452030

SCHEMBL6452030

COCOC(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.46
CHRM1 P11229 6/20 0.46
KCNH2 Q12809 5/20 0.46
CYP2D6 P10635 4/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CHRM3 P20309 3/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
HRH1 P35367 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43

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 0.79 POLB (0.44) CHRM2CHRM1KCNH2CYP2D6KEAP1
SCHEMBL10370745 0.78 CHRM2 (0.58) CHRM2CHRM1KCNH2CYP2D6KEAP1
SCHEMBL25610774 0.76 CHRM2 (0.58) CHRM2CHRM1KCNH2CYP2D6KEAP1
SCHEMBL27969478 0.76 CHRM2 (0.58) CHRM2CHRM1KCNH2CYP2D6KEAP1
SCHEMBL6449683 0.75 KIF11 (0.36) CHRM2CHRM1KCNH2CYP2D6KEAP1
SCHEMBL12238410 0.73 KEAP1 (0.50) CHRM2CHRM1KCNH2CYP2D6KEAP1
SCHEMBL12238412 0.73 KEAP1 (0.50) CHRM2CHRM1KCNH2CYP2D6KEAP1
SCHEMBL28422850 0.72 CHRM2 (0.42) CHRM2CHRM1KCNH2CYP2D6KEAP1
SCHEMBL23320576 0.72 KCNN4 (0.39) KCNH2CYP2D6CHRM3CYP3A4ALDH1A1
SCHEMBL9906166 0.72 KEAP1 (0.56) CHRM2CHRM1KCNH2CYP2D6KEAP1

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