SCHEMBL8965293

SCHEMBL8965293

CCC(=O)Oc1cccc(CCCc2nc(C(c3ccccc3)c3ccccc3)no2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
PAX8 Q06710 1/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.39
RBP1 P09455 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGDR Q13258 1/20 0.37
ACHE P22303 1/20 0.37
GAA P10253 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
SCHEMBL8358333 0.85 MEN1 (0.45) PKMPOLBMEN1KMT2AMAPK1
SCHEMBL8965280 0.84 PTGDR2 (0.55) PKMPOLBMEN1KMT2APTGDR2
SCHEMBL8965331 0.82 PTGDR2 (0.39) KMT2APTGDR2MTNR1AMTNR1BALDH1A1
SCHEMBL1789805 0.72 PPARA (0.56) MTNR1AMTNR1BACHE
SCHEMBL28337010 0.71 PPARA (0.62) MTNR1AMTNR1BACHE
SCHEMBL31539531 0.70 CYP4F2 (0.54) MTNR1AMTNR1BACHE
SCHEMBL8413677 0.69 PTGIR (0.46) PKMPOLBRBP1LMNAALDH1A1
SCHEMBL28593564 0.69 ACHE (0.58) KMT2AMTNR1AMTNR1BACHE
SCHEMBL11206161 0.69 ACHE (0.51) MTNR1AMTNR1BACHE
SCHEMBL27564217 0.68 ACHE (0.56) MEN1KMT2AMTNR1AMTNR1BLMNA

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
US-5536736-A CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-16 US disclosed
US-5378716-A Prostaglandin agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-03 US disclosed
EP-0558062-A2 Phenoxyacetic acid derivatives and pharmaceutical compositions containing them ONO PHARMACEUTICAL CO., LTD. (JP) 1993-09-01 EP disclosed