SCHEMBL1407640

SCHEMBL1407640

CCC(CC)(c1ccc(COc2cccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccccc3)c2)cc1)P(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.55
NR1H3 Q13133 18/20 0.55
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPRB P23467 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL1407896 0.92 NR1H2 (0.57) NR1H2NR1H3PTPN2PTPN1PTPRB
SCHEMBL1407358 0.88 NR1H2 (0.60) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1407267 0.87 NR1H2 (0.73) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1407116 0.85 NR1H2 (0.59) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1407885 0.84 NR1H2 (0.62) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1407639 0.84 NR1H2 (0.57) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1407659 0.83 NR1H2 (0.52) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1414670 0.83 NR1H2 (0.60) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1408103 0.82 NR1H2 (0.67) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1407748 0.82 NR1H2 (0.67) NR1H2NR1H3PPARGPPARDPPARA

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-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 EP disclosed