SCHEMBL11566150

SCHEMBL11566150

c1ccc(-c2nc(-c3ccc(-c4coc(-c5ccccc5)n4)cc3)co2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 6/20 0.72
ENPP1 P22413 4/20 0.72
HSD17B1 P14061 1/20 0.59
HSD17B2 P37059 1/20 0.59
SMO Q99835 2/20 0.56
ALDH1A1 P00352 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HSD11B1 P28845 2/20 0.46
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP13 P45452 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
NOTUM Q6P988 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
SCHEMBL3271684 1.00 ENPP3 (0.72) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL5664564 0.98 ENPP3 (0.75) ENPP3ENPP1HSD17B1HSD17B2SMO
Benzene SCHEMBL16781371 0.98 ENPP3 (0.69) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL278182 0.98 ENPP3 (0.69) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL31606598 0.96 ENPP3 (0.67) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL28472767 0.91 ENPP3 (0.62) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL10910393 0.91 ENPP3 (0.71) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL28474694 0.91 ENPP3 (0.62) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL4254338 0.91 ENPP3 (0.62) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL5211157 0.91 ENPP3 (0.62) ENPP3ENPP1HSD17B1HSD17B2SMO

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-0000431-A1 A method of improving the transmissibility of polymer substrates to visible light by coating with an aqueous emulsion or dispersion containing an ultra violet absorbing scintillator. The British Petroleum Company p.l.c. (GB) 1979-01-24 EP claimed
EP-0000431-A1 A method of improving the transmissibility of polymer substrates to visible light by coating with an aqueous emulsion or dispersion containing an ultra violet absorbing scintillator. The British Petroleum Company p.l.c. (GB) 1979-01-24 EP disclosed