SCHEMBL8029631

SCHEMBL8029631

CCOC(=O)c1[nH]c2ncccc2c1-c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HTT P42858 3/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
CYP1A2 P05177 1/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL6857725 0.81 HPGD (0.62) HPGDSMN1; SMN2HTTKMT2ALMNA
SCHEMBL16464368 0.79 ALDH1A1 (0.48) POLBGAAHPGDHTTKMT2A
SCHEMBL5761859 0.78 ALDH1A1 (0.60) POLBGAAHPGDSMN1; SMN2HTT
SCHEMBL1879993 0.77 MAP2K1 (0.46) GAASMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL13298472 0.77 ALDH1A1 (0.53) POLBGAAHPGDSMN1; SMN2HTT
SCHEMBL25206705 0.75 ALOX15 (0.53) POLBGAAHPGDSMN1; SMN2KMT2A
SCHEMBL259189 0.74 MAPT (0.71) GAAHPGDSMN1; SMN2HTTKMT2A
SCHEMBL16464155 0.73 HTR6 (0.51) POLBGAAHPGDSMN1; SMN2HTT
SCHEMBL6102612 0.72 GRIN2D (0.61) HPGDALDH1A1KDM4EMAPTNPC1
SCHEMBL30532593 0.72 SMN1; SMN2 (0.58) POLBGAAHPGDSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6075037-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-06-13 US disclosed
EP-0763035-A4 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-10-01 EP disclosed
EP-0763035-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 EP disclosed
WO-1995033748-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed