SCHEMBL8712657

SCHEMBL8712657

CCN(CC)c1ccc(C2=c3cc4c(cc3OC2=O)=C(c2ccccc2)C(=O)O4)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
NOX1 Q9Y5S8 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
PTGS2 P35354 2/20 0.39
USP2 O75604 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 2/20 0.38
NR1H4 Q96RI1 1/20 0.37
GHSR Q92847 2/20 0.37
ALDH3A1 P30838 1/20 0.37
ALDH1A3 P47895 1/20 0.37

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
SCHEMBL20803571 0.89 CNR2 (0.41) CNR2MEN1KMT2ARAB9ANPC1
SCHEMBL17430489 0.85 PTGS2 (0.42) MEN1KMT2AALDH1A1MAPTPTGS2
SCHEMBL9347903 0.83 ALDH1A1 (0.40) MEN1KMT2ARAB9AGAAALDH1A1
SCHEMBL17430539 0.83 PTGS2 (0.40) MEN1KMT2AALDH1A1MAPTPTGS2
SCHEMBL10089222 0.81 PTGS2 (0.47) MEN1KMT2AALDH1A1MAPTPTGS2
SCHEMBL17430477 0.80 CYP1A2 (0.39) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL8957875 0.80 MEN1 (0.39) CNR2MEN1KMT2ARAB9ANPC1
SCHEMBL17430480 0.80 PTGS2 (0.36) ALDH1A1MAPTPTGS2KDM4E
SCHEMBL14582098 0.77 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL8708602 0.77 LMNA (0.43) MEN1KMT2ARAB9ANPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5717112-A Benzofuranone and benzodifuranone compounds ZENECA LIMITED (GB) 1998-02-10 US disclosed
EP-0669922-B1 BENZOFURANONES, BENZODIFURANTRIONES AND PROCESSES FOR THE PREPARATION OF BENZODIFURANDIONES BASF AG (DE) 1997-08-20 EP disclosed
US-5625080-A Benzodifurantrione compounds and process ZENECA LIMITED (GB) 1997-04-29 US disclosed
EP-0669922-A1 BENZOFURANONE AND BENZODIFURANTRIONE DERIVATIVES AND PROCESS FOR THE PREPARATION OF BENZODIFURANONES. ZENECA LTD (GB) 1995-09-06 EP disclosed
WO-1994012501-A1 BENZOFURANONE AND BENZODIFURANTRIONE DERIVATIVES AND PROCESS FOR THE PREPARATION OF BENZODIFURANONES ZENECA LIMITED (GB) 1994-06-09 WO disclosed