SCHEMBL8674256

SCHEMBL8674256

O=C(C(=O)N1CCOCC1)N1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
TP53 P04637 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP8 P22894 1/20 0.46
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALPG P10696 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6040035 0.97 MEN1 (0.62) MEN1TP53KMT2ASMN1; SMN2CA12
SCHEMBL786679 0.89 SMN1; SMN2 (0.59) MEN1TP53KMT2ASMN1; SMN2CA12
SCHEMBL4305149 0.85 MEN1 (0.82) MEN1TP53KMT2ASMN1; SMN2CA12
SCHEMBL2202342 0.85 MEN1 (0.82) MEN1TP53KMT2ASMN1; SMN2CA12
SCHEMBL4840666 0.84 ALDH1A1 (0.61) MEN1KMT2ACA12CA1CA9
SCHEMBL4261207 0.84 ALDH1A1 (0.61) MEN1KMT2ACA12CA1CA9
SCHEMBL9717393 0.84 ALDH1A1 (0.61) MEN1KMT2ACA12CA1CA9
SCHEMBL8024247 0.84 ALDH1A1 (0.61) MEN1KMT2ACA12CA1CA9
SCHEMBL3954355 0.82 MEN1 (0.86) MEN1TP53KMT2ASMN1; SMN2CA12
SCHEMBL10590448 0.81 MEN1 (0.56) MEN1TP53KMT2ASMN1; SMN2CA12

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-5783522-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-21 US claimed