SCHEMBL8611291

SCHEMBL8611291

CC(C)C[C@H](CC(=O)N1CCCCCCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
MME P08473 1/20 0.41
RRM1 P23921 1/20 0.41
RRM2 P31350 1/20 0.41
RRM2B Q7LG56 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CPA1 P15085 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.38
MMP3 P08254 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL8612766 1.00 SLC1A3 (0.42) SLC1A3SLC1A2MMERRM1RRM2
SCHEMBL8652466 1.00 SLC1A3 (0.42) SLC1A3SLC1A2MMERRM1RRM2
SCHEMBL9845297 1.00 SLC1A3 (0.42) SLC1A3SLC1A2MMERRM1RRM2
SCHEMBL4037754 0.83 MEN1 (0.44) SLC1A3SLC1A2MMEL3MBTL1POLB
SCHEMBL4044696 0.83 MEN1 (0.44) SLC1A3SLC1A2MMEL3MBTL1POLB
SCHEMBL5761582 0.79 MEN1 (0.40) RRM1RRM2RRM2BL3MBTL1MEN1
SCHEMBL3740475 0.79 POLB (0.58) L3MBTL1POLBNPSR1MEN1KMT2A
SCHEMBL8250570 0.79 POLB (0.58) L3MBTL1POLBNPSR1MEN1KMT2A
SCHEMBL7223652 0.77 POLB (0.60) L3MBTL1POLBNPSR1MEN1KMT2A
SCHEMBL8652199 0.77 MME (0.40) SLC1A3SLC1A2MMECPA1MMP3

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