SCHEMBL8006750

SCHEMBL8006750

CCC(C)C(N[C]=O)C(=O)NC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
KDM4E B2RXH2 3/20 0.42
EPHX2 P34913 2/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8020550 0.81 EPHX1 (0.49) EPHX1L3MBTL1SIGMAR1KDM4EEPHX2
SCHEMBL3728556 0.79 L3MBTL1 (0.55) EPHX1L3MBTL1SIGMAR1KDM4EEPHX2
SCHEMBL15104808 0.79 L3MBTL1 (0.55) EPHX1L3MBTL1SIGMAR1KDM4EEPHX2
SCHEMBL7556071 0.76 ALDH1A1 (0.49) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10308298 0.74 EPHX1 (0.59) EPHX1SIGMAR1KDM4EEPHX2ATM
SCHEMBL19696814 0.74 EPHX1 (0.59) EPHX1SIGMAR1KDM4EEPHX2ATM
SCHEMBL1952567 0.73 EPHX1 (0.50) EPHX1L3MBTL1SIGMAR1KDM4EEPHX2
SCHEMBL12572626 0.72 CTSS (0.57) EPHX1L3MBTL1KDM4EMEN1PABPC1
SCHEMBL2759379 0.72 EPHX1 (0.56) EPHX1SIGMAR1KDM4EEPHX2ATM
SCHEMBL5197128 0.72 EPHX1 (0.56) EPHX1SIGMAR1KDM4EEPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6150385-A VIRICIDE WITH ACTIVITY AGAINST CYTOMEGALO VIRUS (CMV), HERPES VIRUS INCLUDING VARICELLA ZOSTER VIRUS, THE EPSTEIN-BARR VIRUS, THE HERPES SIMPLEX VIRUS, AND THE HUMAN HERPES VIRUS TYPE 8 (HHV-8) PHARMACIA & UPJOHN COMPANY (US) 2000-11-21 US disclosed
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
EP-0706532-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-17 EP 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