SCHEMBL5249685

SCHEMBL5249685

[CH2]CCc1nnnn1CCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDE P14735 1/20 0.46
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 3/20 0.35
USP2 O75604 1/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 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
SCHEMBL96673 0.82 IDE (0.38) IDEALDH1A1KMT2AMEN1HTT
SCHEMBL96785 0.76 SLC9A1 (0.38) KMT2AMEN1HTTLMNA
SCHEMBL20711258 0.75 IDE (0.45) IDEALDH1A1KMT2AMEN1HTT
SCHEMBL3032401 0.73 KMT2A (0.34) ALDH1A1KMT2AMEN1NAALAD2LMNA
SCHEMBL20711367 0.73 CNR2 (0.49) IDEALDH1A1KMT2AMEN1HTT
SCHEMBL6110896 0.72 IDE (0.41) IDEALDH1A1KMT2AMEN1HTT
SCHEMBL4916117 0.71 IDE (0.40) IDEALDH1A1KMT2AMEN1HTT
SCHEMBL6473514 0.70 ALDH1A1 (0.38) IDEALDH1A1KMT2AMEN1HTT
SCHEMBL3033831 0.69 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1HTTGAA
SCHEMBL3015911 0.67 SLC9A1 (0.36) ALDH1A1KMT2AMEN1HTTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed