SCHEMBL8610979

SCHEMBL8610979

CC(C)C[C@H](OC(=O)NC1CCCCC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
FOLH1 Q04609 4/20 0.47
EPHX1 P07099 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8610073 0.81 L3MBTL1 (0.45) MEN1TSHRKMT2AFOLH1EPHX1
SCHEMBL24938974 0.80 EPHX1 (0.47) MEN1TSHRKMT2AEPHX1SMN1; SMN2
SCHEMBL19426127 0.77 EPHX1 (0.55) EPHX1SMN1; SMN2ALDH1A1NPSR1RAB9A
SCHEMBL25480124 0.77 EPHX1 (0.55) EPHX1SMN1; SMN2ALDH1A1NPSR1RAB9A
SCHEMBL25479961 0.77 EPHX1 (0.55) EPHX1SMN1; SMN2ALDH1A1NPSR1RAB9A
SCHEMBL9357970 0.77 EPHX1 (0.55) EPHX1SMN1; SMN2ALDH1A1NPSR1RAB9A
SCHEMBL16592095 0.76 EPHX1 (0.41) MEN1TSHRKMT2AEPHX1SMN1; SMN2
SCHEMBL11751700 0.75 EPHX1 (0.53) EPHX1SMN1; SMN2ALDH1A1NPSR1RAB9A
SCHEMBL12282654 0.75 EPHX1 (0.52) EPHX1SMN1; SMN2ALDH1A1RAB9A
Bicarbonate SCHEMBL15225614 0.73 EPHX1 (0.53) EPHX1SMN1; SMN2ALDH1A1NPSR1RAB9A

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