SCHEMBL6565682

SCHEMBL6565682

Cc1cc(CN(CCCOc2cccc(C(N)=O)c2)CC(c2ccccc2)c2ccccc2)ccc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 15/20 0.74
NR1H2 P55055 6/20 0.51
RXRA P19793 2/20 0.51
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
VHL P40337 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR1 P03372 2/20 0.42
MAOB P27338 1/20 0.41
LPAR1 Q92633 1/20 0.40

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
SCHEMBL6513456 0.89 NR1H3 (0.76) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6511060 0.87 NR1H3 (0.76) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6511924 0.85 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6511804 0.85 NR1H3 (0.77) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6515800 0.85 NR1H3 (0.82) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6513470 0.82 NR1H3 (0.72) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6512034 0.82 NR1H3 (0.71) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6510846 0.81 NR1H3 (0.71) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6511072 0.79 NR1H3 (0.67) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6511025 0.74 NR1H3 (0.61) NR1H3NR1H2RXRAMEN1NR1I2

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-1318976-B1 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LTD (GB) 2004-11-24 EP claimed