SCHEMBL9456952

SCHEMBL9456952

CCCCCCCCCCCC(CC(=O)OC)OC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NAAA Q02083 2/20 0.36
MMP1 P03956 3/20 0.36
MMP3 P08254 3/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
BIRC2 Q13490 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
CNR1 P21554 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
CTSK P43235 1/20 0.33
EPHX2 P34913 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
SCHEMBL9825662 0.93 KDM4E (0.37) EPHX2
SCHEMBL3700286 0.89 NAAA (0.44) NAAAEPHX2
SCHEMBL9825859 0.88 NAAA (0.35) MEN1KMT2ANAAAMMP1MMP3
SCHEMBL9457380 0.88 GPR84 (0.41) MEN1KMT2AMMP1MMP3LMNA
SCHEMBL9457193 0.88 GPR84 (0.41) MEN1KMT2AMMP1MMP3LMNA
SCHEMBL9457371 0.88 GPR84 (0.41) MEN1KMT2AMMP1MMP3LMNA
SCHEMBL9457368 0.88 GPR84 (0.41) MEN1KMT2AMMP1MMP3LMNA
SCHEMBL9649923 0.88 GPR84 (0.41) MEN1KMT2AMMP1MMP3LMNA
SCHEMBL9457123 0.85 ZDHHC7 (0.36) MEN1KMT2ANAAAUSP2LMNA
SCHEMBL9825860 0.84 DGKA (0.36) EPHX2

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-5246960-A Used to treat obesity, hyperlipaemia, atherosclerosis and arteriosclerosis HOFFMANN-LA ROCHE INC. (US) 1993-09-21 US disclosed
US-5175186-A Inhibits pancreas lepase and useful agent in treatment of obesity, hyperlipemia, atherosclerosis and arteriosclerosis HOFFMANN-LA ROCHE INC. (US) 1992-12-29 US disclosed
EP-0185359-B1 OXETANONE F. HOFFMANN-LA ROCHE AG (CH) 1991-12-04 EP disclosed
US-4931463-A PANCREAS LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1990-06-05 US disclosed
EP-0185359-A2 Oxetanone F. HOFFMANN-LA ROCHE AG (CH) 1986-06-25 EP disclosed