SCHEMBL22449244

SCHEMBL22449244

CNC(Cc1ccc(-c2noc(-c3ccc(OCc4ccccc4)cc3)n2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.57
▸ SMPD1 P17405 4/20 0.56
▸ TPH1 P17752 2/20 0.55
▸ PPARD Q03181 6/20 0.55
▸ PPARA Q07869 6/20 0.55
▸ FFAR1 O14842 2/20 0.51
▸ GPR34 Q9UPC5 2/20 0.50

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
SCHEMBL22448969 0.89 TPH1 (0.58) PPARGTPH1PPARDPPARA
SCHEMBL22449171 0.88 TPH1 (0.56) PPARGSMPD1TPH1
SCHEMBL15037260 0.85 GPR132 (0.55) PPARGSMPD1PPARDPPARAGPR34
SCHEMBL22449147 0.85 S1PR1 (0.59) PPARGTPH1PPARDPPARAFFAR1
SCHEMBL29810083 0.85 TPH1 (0.73) PPARGSMPD1TPH1PPARDPPARA
SCHEMBL22449256 0.84 TPH1 (0.57) PPARGTPH1PPARDPPARA
Hydrochloric Acid SCHEMBL29810128 0.84 TPH1 (0.74) PPARGSMPD1TPH1PPARDPPARA
SCHEMBL8760872 0.84 PPARG (0.67) PPARGPPARDPPARAGPR34
SCHEMBL2035189 0.84 PPARG (0.67) PPARGPPARDPPARAGPR34
SCHEMBL2030203 0.84 PPARG (0.67) PPARGPPARDPPARAGPR34

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
EP-2791112-B1 CARBOXYLIC ACID DERIVATIVES COMPRISING FOUR CYCLES ACTING AS GLP-1 RECEPTOR MODULATORS FOR THERAPY OF DISEASES SUCH AS DIABETES CELGENE INT II SÀRL (CH) 2020-09-23 — — EP disclosed
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