SCHEMBL7007556

SCHEMBL7007556

CCCC(=O)/C(=C\C(C)C)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
GLO1 Q04760 1/20 0.44
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MAPT P10636 5/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 3/20 0.35
DHODH Q02127 2/20 0.35

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
SCHEMBL7007560 1.00 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL2920090 0.85 NPSR1 (0.54) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL13269686 0.85 NPSR1 (0.54) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL7105181 0.82 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL7105178 0.82 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10743738 0.79 GLO1 (0.64) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL6690520 0.79 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL8405201 0.78 NPSR1 (0.47) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11725432 0.78 NPSR1 (0.47) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL4920434 0.76 NPSR1 (0.71) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2

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-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed