SCHEMBL1407896

SCHEMBL1407896

CCC(CC)(c1ccc(COc2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccccc3)cc2)cc1)P(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.57
NR1H3 Q13133 13/20 0.57
NR1I2 O75469 2/20 0.44
NR3C1 P04150 2/20 0.44
AR P10275 1/20 0.42
RXRA P19793 1/20 0.42
PTPN2 P17706 3/20 0.41
PTPN1 P18031 3/20 0.41
PTPRB P23467 2/20 0.41
PTPN6 P29350 2/20 0.41
PTPN11 Q06124 2/20 0.41
PTPRC P08575 2/20 0.41
CDC25A P30304 1/20 0.41
ESR1 P03372 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41

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
SCHEMBL1407640 0.92 NR1H2 (0.55) NR1H2NR1H3PTPN2PTPN1PTPRB
SCHEMBL1406905 0.88 NR1H2 (0.62) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3863717 0.86 NR1H2 (0.77) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL27710182 0.85 NR1H2 (0.69) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407090 0.84 NR1H2 (0.64) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407271 0.84 NR1H2 (0.64) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407894 0.84 NR1H2 (0.59) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3859782 0.83 NR1H2 (0.72) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407160 0.82 NR1H2 (0.61) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407677 0.81 NR1H2 (0.66) NR1H2NR1H3NR1I2NR3C1AR

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