SCHEMBL8128366

SCHEMBL8128366

CCCCCCCCCCCCCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CO)cc1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.39
KCNA3 P22001 1/20 0.39
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
S1PR1 P21453 6/20 0.37
S1PR3 Q99500 5/20 0.37
S1PR2 O95136 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
S1PR5 Q9H228 4/20 0.36
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35

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
SCHEMBL8123164 0.91 COMT (0.39) COMTRAB9AMEN1NPC1TP53
SCHEMBL8137012 0.90 COMT (0.44) COMTMEN1KMT2APTPN11
SCHEMBL8137123 0.90 COMT (0.44) COMTMEN1KMT2APTPN11
SCHEMBL8119797 0.90 COMT (0.44) COMTMEN1KMT2APTPN11
SCHEMBL8130166 0.90 COMT (0.44) COMTMEN1KMT2APTPN11
SCHEMBL8134390 0.89 NPC1 (0.41) KCNA3RAB9AMEN1NPC1TP53
SCHEMBL8128629 0.89 KCNA3 (0.39) KCNA3RAB9AMEN1NPC1TP53
SCHEMBL8134474 0.88 COMT (0.37) COMTRAB9AMEN1NPC1TP53
Bromide SCHEMBL9290862 0.88 KCNA3 (0.38) KCNA3RAB9AMEN1NPC1TP53
SCHEMBL9291043 0.85 COMT (0.45) COMTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0427765-B1 ALKOXY-4(1H)-PYRIDONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS DRUGS GOEDECKE AG (DE) 2000-01-05 EP disclosed
US-5322844-A Cardiovascular disorders, antiinflammatory agents, antiallergens GODECKE AKTIENGESELLSCHAFT (DE) 1994-06-21 US disclosed
US-5185352-A Treating or preventing cardiovascular disorders GOEDECKE AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
EP-0427765-A1 ALKOXY-4(1H)-PYRIDONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS DRUGS GÖDECKE AKTIENGESELLSCHAFT (DE) 1991-05-22 EP disclosed
WO-1990001477-A1 ALKOXY-4(1H)-PYRIDONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS DRUGS Gödecke Aktiengesellschaft (DE) 1990-02-22 WO disclosed
EP-0354495-A1 Alkoxy-4(1H)-pyridone derivatives, process for their preparation and their pharmaceutical use GÖDECKE AKTIENGESELLSCHAFT (DE) 1990-02-14 EP disclosed