SCHEMBL8610410

SCHEMBL8610410

CC(C)C[C@H](OC(=O)N1CCCCCC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
LAP3 P28838 2/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP7 Q9UHL4 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8608851 1.00 FOLH1 (0.40) FOLH1MMP1MMP2MMP8LAP3
SCHEMBL8350092 0.84 TSHR (0.47) FOLH1LAP3ALDH1A1POLBMEN1
SCHEMBL4044979 0.84 TSHR (0.47) FOLH1LAP3ALDH1A1POLBMEN1
SCHEMBL22978688 0.79 MMP1 (0.45) MMP1MMP2MMP8ALDH1A1POLB
SCHEMBL8531114 0.77 CACNA1B (0.46) POLBMEN1KMT2A
SCHEMBL8896153 0.77 CACNA1B (0.46) POLBMEN1KMT2A
SCHEMBL8898649 0.77 CACNA1B (0.46) POLBMEN1KMT2A
SCHEMBL8896159 0.76 ACE (0.45) ALDH1A1MEN1HPGDKMT2A
SCHEMBL8898654 0.76 ACE (0.45) ALDH1A1MEN1HPGDKMT2A
SCHEMBL16965622 0.74 ALDH1A1 (0.38) MMP1MMP2MMP8ALDH1A1POLB

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