SCHEMBL13781647

SCHEMBL13781647

COC(=O)N1CCCC(C(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNA4 P43681 2/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ PDE4B Q07343 3/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10153047 0.89 CYP2D6 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL12999220 0.86 CYP2D6 (0.45) ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15469635 0.85 MEN1 (0.55) ALDH1A1MEN1MAPTKMT2APDE4B
SCHEMBL15469641 0.85 MEN1 (0.55) ALDH1A1MEN1MAPTKMT2APDE4B
SCHEMBL12597751 0.85 MEN1 (0.55) ALDH1A1MEN1MAPTKMT2APDE4B
SCHEMBL15298467 0.81 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL24777816 0.80 CYP2D6 (0.38) ALDH1A1CA1CA2EPHX2CA12
SCHEMBL21340435 0.80 CYP2D6 (0.38) ALDH1A1KMT2ACA1CA2EPHX2
SCHEMBL13781667 0.80 EPHX2 (0.46) ALDH1A1MAPTCHRNB2CHRNA4CHRNA3
SCHEMBL9917273 0.80 EPHX2 (0.46) ALDH1A1MAPTCHRNB2CHRNA4CHRNA3

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
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 — — US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 — — US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 — — US disclosed
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