SCHEMBL8610882

SCHEMBL8610882

COC(=O)C(N[C]=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 4/20 0.52
CA12 O43570 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.43
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
TSHR P16473 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
THRB P10828 1/20 0.34
ANPEP P15144 1/20 0.34
BIRC2 Q13490 1/20 0.33

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
SCHEMBL3201070 1.00 CA14 (0.52) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL3485837 0.84 CA14 (0.41) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL3208489 0.81 MGAM (0.38) CA14CA12CA7CA9HSD17B10
SCHEMBL8017536 0.79 POLB (0.41) TAS1R3TAS1R1MAPT
SCHEMBL7429012 0.76 SMN1; SMN2 (0.37) SMN1; SMN2GAA
SCHEMBL5638641 0.76
SCHEMBL3498478 0.76
SCHEMBL4119105 0.74 HPGDS (0.31) CA14CA12
SCHEMBL7341351 0.74 CA14 (0.48) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL7341355 0.74 CA14 (0.48) CA14CA12SMN1; SMN2CA7CA9

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