SCHEMBL10658780

SCHEMBL10658780

CCC(Oc1ccc2c(-c3ccc(C)o3)noc2c1Cl)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.37
PPARG P37231 7/20 0.35
PPARD Q03181 6/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 4/20 0.34
PTGS2 P35354 1/20 0.33
CTSA P10619 2/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL10659166 0.84 PPARA (0.37) PPARAPPARGPPARDSMN1; SMN2PTGS1
SCHEMBL10659584 0.83 PPARA (0.41) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL10658961 0.83 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL10665132 0.82 PPARA (0.40) PPARAPPARGPPARDSMN1; SMN2PTGDR2
SCHEMBL10656281 0.82 PPARA (0.38) PPARAPPARGPPARDSMN1; SMN2PTGDR2
SCHEMBL10656039 0.82 PPARA (0.42) PPARAPPARGPPARD
SCHEMBL10657410 0.81 MAPT (0.41) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL10661952 0.81 FHIT (0.41) PPARAPPARGPPARDPTGS1PTGS2
SCHEMBL10658761 0.81 PPARA (0.39) PPARAPPARGPPARDSMN1; SMN2CTSA
SCHEMBL10658173 0.80 PPARA (0.38) PPARAPPARGPPARDSMN1; SMN2

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-4673746-A DIURETICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1987-06-16 US claimed
US-4728662-A DIURETICS, URICOSURICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-03-01 US disclosed
US-4673746-A DIURETICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1987-06-16 US disclosed