SCHEMBL6587160

SCHEMBL6587160

O=C(O)C(O)(c1cccc(F)c1)C1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.69
NFE2L2 Q16236 1/20 0.69
KCNN4 O15554 4/20 0.45
CHRM3 P20309 11/20 0.44
CHRM2 P08172 5/20 0.44
CHRM1 P11229 4/20 0.44
ALDH1A1 P00352 1/20 0.41
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL415801 0.82 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2062949 0.82 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL418664 0.82 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4247916 0.82 KEAP1 (0.47) KEAP1NFE2L2KCNN4CHRM3CHRM2
SCHEMBL4190999 0.81 KEAP1 (0.72) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL198082 0.80 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2764243 0.80 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3909615 0.80 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL1235433 0.80 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL198312 0.80 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed