SCHEMBL8965331

SCHEMBL8965331

CCC(=O)Oc1cccc(CCCc2noc(C(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.39
ACHE P22303 2/20 0.37
PTGDR Q13258 1/20 0.37
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KMT2A Q03164 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
KDM4A O75164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
SCHEMBL8358614 0.85 MEN1 (0.48) PTGDR2PTGDRPPARGPPARAKMT2A
SCHEMBL8965129 0.84 PTGDR2 (0.55) PTGDR2PTGDRPPARGPPARACYSLTR2
SCHEMBL8965293 0.82 PKM (0.45) PTGDR2ACHEPTGDRMTNR1AMTNR1B
SCHEMBL8350655 0.72 ALDH1A1 (0.38) PPARGPPARAKMT2AALDH1A1MAPT
SCHEMBL1789805 0.72 PPARA (0.56) ACHEPPARGPPARAMTNR1AMTNR1B
SCHEMBL8350653 0.72 PPARG (0.46) PTGDR2PPARGPPARA
SCHEMBL28337010 0.71 PPARA (0.62) ACHEPPARGPPARAMTNR1AMTNR1B
SCHEMBL29328696 0.70 PPARA (0.58) PPARGPPARA
SCHEMBL31539531 0.70 CYP4F2 (0.54) ACHEPPARGPPARAMTNR1AMTNR1B
SCHEMBL28593564 0.69 ACHE (0.58) ACHEPPARGPPARAMTNR1AMTNR1B

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