SCHEMBL8610893

SCHEMBL8610893

O=CNCCCCC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 1/20 0.49
TGM2 P21980 1/20 0.47
LTA4H P09960 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.46
TPSAB1 Q15661 2/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45
PLG P00747 1/20 0.45
ELANE P08246 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 3/20 0.44

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
SCHEMBL8610228 0.98 EPHX2 (0.55) EPHX2ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL8615529 0.97 HTT (0.52) EPHX2ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL8537413 0.91 ALDH1A1 (0.54) EPHX2ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL18673 0.85 ALDH1A1 (0.68) EPHX2ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL7526762 0.84 ALDH1A1 (0.54) EPHX2ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL23131462 0.84 LTA4H (0.54) EPHX2ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL10747240 0.84 HDAC3 (0.62) EPHX2ALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL10738859 0.84 HDAC3 (0.62) EPHX2ALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL4941879 0.84 ALDH1A1 (0.66) EPHX2ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL20624816 0.84 ALDH1A1 (0.66) EPHX2ALDH1A1MAPK1L3MBTL1HTT

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
EP-0457195-B1 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1998-04-15 EP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed