SCHEMBL8020550

SCHEMBL8020550

CCC(C)C(NC=O)C(=O)NC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
KDM4E B2RXH2 3/20 0.43
EPHX2 P34913 2/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL8006750 0.81 EPHX1 (0.48) EPHX1L3MBTL1SIGMAR1KDM4EEPHX2
SCHEMBL3728556 0.80 L3MBTL1 (0.55) EPHX1L3MBTL1SIGMAR1KDM4EEPHX2
SCHEMBL15104808 0.80 L3MBTL1 (0.55) EPHX1L3MBTL1SIGMAR1KDM4EEPHX2
SCHEMBL8017353 0.77 ALDH1A1 (0.49) L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL19696814 0.75 EPHX1 (0.59) EPHX1SIGMAR1KDM4EEPHX2ATM
SCHEMBL10308298 0.75 EPHX1 (0.59) EPHX1SIGMAR1KDM4EEPHX2ATM
SCHEMBL27519137 0.75 EPHX1 (0.41) EPHX1L3MBTL1KDM4EATMALDH1A1
SCHEMBL16623919 0.75 ALDH1A1 (0.40) L3MBTL1ATMALDH1A1KMT2AMEN1
SCHEMBL16623911 0.75 ALDH1A1 (0.40) L3MBTL1ATMALDH1A1KMT2AMEN1
SCHEMBL18098723 0.75 ALDH1A1 (0.40) L3MBTL1ATMALDH1A1KMT2AMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706532-B1 Peptides having endothelin antagonictic activity,their preparation and pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO (JP) 2000-02-02 EP disclosed
US-5888972-A ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-30 US disclosed
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
WO-1995000537-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO 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