SCHEMBL4077267

SCHEMBL4077267

COC(=O)C12CCCC(CC(N)C1)C2.[CH2]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 1/20 0.34
POLB P06746 2/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL21119171 0.81 ALDH1A1 (0.36) ALDH1A1L3MBTL1GLAPOLBSCN1A
SCHEMBL9951753 0.80 NPSR1 (0.38) ALDH1A1L3MBTL1GLAPOLBSCN1A
SCHEMBL16728265 0.79 ALDH1A1 (0.35) ALDH1A1L3MBTL1GLAPOLBSCN1A
SCHEMBL29645202 0.73 GLA (0.40) ALDH1A1L3MBTL1GLAPOLBSCN1A
SCHEMBL15282862 0.72 ALDH1A1 (0.33) ALDH1A1L3MBTL1POLBSCN1ASCN2A
SCHEMBL7485102 0.71 GLA (0.38) ALDH1A1L3MBTL1GLAPOLBSCN1A
SCHEMBL3704482 0.69 ALDH1A1 (0.42) ALDH1A1L3MBTL1GLAPOLBSCN1A
SCHEMBL2871065 0.69 CHRNB2 (0.41) ALDH1A1L3MBTL1GLAPOLBSCN1A
SCHEMBL19808298 0.69 HSD11B1 (0.37) ALDH1A1L3MBTL1GLAPOLBSCN1A
SCHEMBL905300 0.68 GLA (0.57) ALDH1A1L3MBTL1GLAPOLBSCN1A

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
WO-2009053895-A2 QUINOLINE UROTENSIN-II RECEPTOR ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2009-04-30 WO disclosed