SCHEMBL8575529

SCHEMBL8575529

Cc1cc(CN)ccc1N1CC(CCC(=O)O)N(c2ccccc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.37
HTR7 P34969 3/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
FFAR1 O14842 3/20 0.32
TP53 P04637 2/20 0.32
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
CTSG P08311 1/20 0.31
CMA1 P23946 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL8572815 0.91 HTR7 (0.38) PTGER4HTR7PPARGPPARDPPARA
SCHEMBL8575501 0.84 PTGER3 (0.35) PPARDPPARAFFAR4TP53PTGER3
SCHEMBL8571536 0.77 CASP3 (0.38) ALDH1A1GAAMAPTCTSGCMA1
SCHEMBL8575092 0.76 CTSG (0.43) ALDH1A1GAATP53CTSGCMA1
SCHEMBL8575472 0.75 PTGER3 (0.38) PPARDPPARAFFAR4PTGER3PTGER2
Hydrochloric Acid SCHEMBL8575626 0.75 CTSG (0.42) ALDH1A1GAATP53CTSGCMA1
SCHEMBL8571508 0.75 HTR7 (0.37) HTR7OPRM1MAPTCTSGCMA1
SCHEMBL8573785 0.74 FFAR4 (0.39) PTGER4OPRM1OPRD1OPRK1FFAR4
SCHEMBL7282936 0.71 S1PR1 (0.46) PPARDPPARAFFAR4ALDH1A1GAA
SCHEMBL8572789 0.70 PTGER4 (0.40) PTGER4ALDH1A1GAAFFAR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed