SCHEMBL9113345

SCHEMBL9113345

CCCOCCCCCCOc1[c]cccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.34
ALDH1A1 P00352 3/20 0.34
APAF1 O14727 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
TSHR P16473 4/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL7861358 0.93 LTA4H (0.41) LTA4HALDH1A1APAF1RAD52NPSR1
SCHEMBL9668765 0.93 LTA4H (0.41) LTA4HALDH1A1APAF1RAD52NPSR1
SCHEMBL7274140 0.92 LTA4H (0.40) LTA4HALDH1A1APAF1RAD52NPSR1
SCHEMBL991125 0.92 LTA4H (0.42) LTA4HALDH1A1APAF1RAD52NPSR1
SCHEMBL7281298 0.90 L3MBTL1 (0.37) LTA4HALDH1A1LMNAMAPTKMT2A
SCHEMBL10710501 0.88 LTA4H (0.41) LTA4HALDH1A1NPSR1TSHRLMNA
SCHEMBL4943659 0.88 LTA4H (0.44) LTA4HALDH1A1TSHRLMNAMEN1
SCHEMBL5144146 0.88 LTA4H (0.44) LTA4HALDH1A1TSHRLMNAMEN1
SCHEMBL2871187 0.88 LTA4H (0.44) LTA4HALDH1A1TSHRLMNAMEN1
SCHEMBL5495328 0.88 LTA4H (0.44) LTA4HALDH1A1TSHRLMNAMEN1

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
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed