SCHEMBL1385530

SCHEMBL1385530

[CH2]C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
CHRM2 P08172 8/20 0.47
CHRM1 P11229 8/20 0.47
CHRM3 P20309 7/20 0.47
CYP2D6 P10635 5/20 0.47
KCNH2 Q12809 4/20 0.47
CHRM4 P08173 4/20 0.47
CHRM5 P08912 4/20 0.47
HRH1 P35367 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL2238914 0.79 CYP2D6 (0.66) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL13429177 0.78 KEAP1 (0.56) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL13131231 0.78 KEAP1 (0.56) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL9906166 0.78 KEAP1 (0.56) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL18415154 0.78 KEAP1 (0.56) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL9940816 0.76 KEAP1 (0.55) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL198459 0.76 MAPT (0.52) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL12531908 0.76 MAPT (0.52) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL2683059 0.76 KEAP1 (0.50) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL17771882 0.75 KEAP1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838934-B2 2011-12-14 JP claimed
EP-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
US-7232640-B1 Positive resist composition FUJIFILM CORPORATION (JP) 2007-06-19 US disclosed
US-20070128547-A1 POSITIVE RESIST COMPOSITION FUJI PHOTO FILM CO., LTD. 2007-06-07 US disclosed