SCHEMBL8615529

SCHEMBL8615529

O=CNCCCC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
EPHX2 P34913 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TGM2 P21980 1/20 0.47
HPGD P15428 1/20 0.46
HSP90AA1 P07900 2/20 0.44
LMNA P02545 3/20 0.44
LTA4H P09960 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 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
SCHEMBL8610893 0.97 EPHX2 (0.53) HTTALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL8610228 0.95 EPHX2 (0.55) HTTALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL8537413 0.91 ALDH1A1 (0.54) HTTALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL10746397 0.83 CCR6 (0.62) HTTALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL16330124 0.83 ALDH1A1 (0.56) HTTALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL2898427 0.83 HTT (0.56) HTTALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL16330120 0.83 ALDH1A1 (0.56) HTTALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL3638266 0.83 ALDH1A1 (0.56) HTTALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL20232318 0.82 LTA4H (0.53) HTTALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL18673 0.82 ALDH1A1 (0.68) HTTALDH1A1MAPK1L3MBTL1EPHX2

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