SCHEMBL7710088

SCHEMBL7710088

Nc1ccc(SCC(O)CO)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HIF1A Q16665 1/20 0.39
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
NOS3 P29474 1/20 0.33

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
SCHEMBL609024 0.75 KDM4E (0.46) KDM4EHSD17B10HIF1AGABRPGABRD
SCHEMBL23634064 0.74 KDM4E (0.52) KDM4EHSD17B10GABRPGABRDGABRA1
SCHEMBL16197373 0.72 HIF1A (0.39) HIF1ASMN1; SMN2GSTP1GSTM2CA1
SCHEMBL609195 0.71 KDM4E (0.53) KDM4EHSD17B10GABRPGABRDGABRA1
SCHEMBL19240399 0.70 RAB9A (0.41) KDM4EHSD17B10GABRPGABRDGABRA1
SCHEMBL10432941 0.69 MAPT (0.49) HIF1A
SCHEMBL1496675 0.69 CYP2D6 (0.40) KDM4EHSD17B10HIF1ASMN1; SMN2
SCHEMBL11454370 0.69 MAOA (0.53) HIF1ASMN1; SMN2GSTP1GSTM2CA1
SCHEMBL6482093 0.69 MAOA (0.50) HIF1ACA1CA2CA4CA7
SCHEMBL6543393 0.69 MAOA (0.50) HIF1ACA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362191-B1 ANTIBIOTICS ZENECA LTD. (GB) 2002-03-26 US disclosed
EP-1007525-A1 AMINOMETYL OXOOXAZOLIDINYL BENZENE DERIVATIVES ZENECA LIMITED (GB) 2000-06-14 EP disclosed
WO-1999011642-A1 AMINOMETYL OXOOXAZOLIDINYL BENZENE DERIVATIVES ZENECA LIMITED (GB) 1999-03-11 WO disclosed