SCHEMBL10811069

SCHEMBL10811069

CCCC(=O)c1[nH]c(=O)[nH]c1CC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
ABL1 P00519 8/20 0.46
RIN1 Q13671 8/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
NSD2 O96028 2/20 0.42
GAA P10253 2/20 0.42
IDE P14735 1/20 0.42
PDE4A P27815 10/20 0.40
PDE4B Q07343 10/20 0.40
PDE4C Q08493 10/20 0.40
PDE4D Q08499 10/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10807646 0.85 PDE3B (0.46) PDE3BPDE3AABL1RIN1TSHR
SCHEMBL10811057 0.84 PDE3B (0.51) PDE3BPDE3AABL1RIN1TSHR
SCHEMBL10805565 0.79 PDE3B (0.44) PDE3BPDE3AABL1RIN1TSHR
SCHEMBL7341880 0.78 PDE3B (0.53) PDE3BPDE3AABL1RIN1TDP1
SCHEMBL10805601 0.72 PDE3B (0.47) PDE3BPDE3ATDP1GAAPDE4A
SCHEMBL8441474 0.71 PDE3B (0.42) PDE3BPDE3AGAAPDE4APDE4B
SCHEMBL22766845 0.71 PDE3B (0.46) PDE3BPDE3AGAAPDE4APDE4B
SCHEMBL10807637 0.71 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10803886 0.68 ABL1 (0.72) PDE3BPDE3AABL1RIN1TSHR
SCHEMBL10632760 0.67 PDE3B (0.70) PDE3BPDE3ATSHRPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079049-B1 NOVEL SUBSTITUTED ALKANOYLIMIDAZOL-2-ONE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 EP disclosed
US-4447619-A CARDIOTONIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1984-05-08 US disclosed
EP-0079049-A2 Novel substituted alkanoylimidazol-2-one derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1983-05-18 EP disclosed
US-4367236-A CARDIOTONIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1983-01-04 US disclosed