SCHEMBL8383396

SCHEMBL8383396

CCOC(=O)N(C)CCCC([NH])=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ DNM1 Q05193 1/20 0.32
▸ ALOX15 P16050 2/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ MGAM O43451 1/20 0.31

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
SCHEMBL8386752 0.95 EPHX2 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL8383399 0.83 ALOX15 (0.41) CA12CA1CA2CA9APOBEC3A
SCHEMBL14355272 0.83 ALDH1A1 (0.38) CA12CA1CA2CA9APOBEC3A
SCHEMBL995722 0.82 LMNA (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL8381205 0.81 LMNA (0.37) LMNAMEN1KMT2AGAA
SCHEMBL9357923 0.80 ALDH1A1 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL23225643 0.80 ALDH1A1 (0.35) CA12CA1CA2CA9APOBEC3A
SCHEMBL10292049 0.80 ALDH1A1 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL22281708 0.79 CHRNB2 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL4006880 0.79 EPHX2 (0.42) ALDH1A1DNM1SIGMAR1

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
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 — — US disclosed
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