SCHEMBL15054040

SCHEMBL15054040

COC(=O)c1cc(N)cc(C2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.44
HSD17B10 Q99714 4/20 0.42
ALDH1A1 P00352 8/20 0.41
ATM Q13315 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 6/20 0.40
GAA P10253 3/20 0.40
KMO O15229 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
XDH P47989 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL10068936 0.89 HSD17B10 (0.51) HSD17B10ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL8619431 0.87 HSD17B10 (0.50) HSD17B10ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL4389273 0.83 CA12 (0.52) HSD17B10ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL10068933 0.83 KMO (0.51) HSD17B10ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL184149 0.81 HSD17B10 (0.54) HSD17B10ALDH1A1CA12CA1CA2
SCHEMBL10068703 0.81 KMO (0.54) HSD17B10ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL2723391 0.80 KMO (0.56) ALDH1A1SMN1; SMN2KDM4EKMOLMNA
SCHEMBL13406258 0.80 ALDH1A1 (0.43) HSD17B10ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL10068935 0.79 ALDH1A1 (0.46) HSD17B10ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL10068939 0.79 CYP4F2 (0.40) HSD17B10ALDH1A1ATMSMN1; SMN2NPSR1

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
WO-2013096153-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 WO disclosed
WO-2013096151-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 WO disclosed