SCHEMBL8047362

SCHEMBL8047362

CCOC(=O)CCCCCC(C#N)(c1ccc2ccccc2c1)c1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.46
CYSLTR1 Q9Y271 3/20 0.46
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PRNP P04156 1/20 0.40
TOP2A P11388 2/20 0.38
MAPT P10636 2/20 0.37
CNR2 P34972 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
FAAH O00519 2/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 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
SCHEMBL8044839 0.91 CYSLTR2 (0.45) CYSLTR2CYSLTR1KMT2AMEN1PRNP
SCHEMBL8049575 0.91 CYSLTR2 (0.46) CYSLTR2CYSLTR1GAAKMT2AMEN1
SCHEMBL8050153 0.85 HDAC1 (0.36)
SCHEMBL8049803 0.83 HDAC1 (0.47)
SCHEMBL8052660 0.83 PPARG (0.43) CYSLTR2CYSLTR1GAAMAPTCNR2
SCHEMBL8046084 0.83 CYSLTR2 (0.42) CYSLTR2CYSLTR1KMT2AMEN1PRNP
SCHEMBL8044917 0.79 HDAC1 (0.36) CYSLTR2CYSLTR1KMT2AMAPT
SCHEMBL8045031 0.77 MMP3 (0.45) PRNP
SCHEMBL8047275 0.76 AHR (0.39) KMT2AMEN1PRNPMAPT
SCHEMBL8049785 0.76 HDAC1 (0.37) CYSLTR2CYSLTR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP disclosed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed