SCHEMBL6566843

SCHEMBL6566843

CCC1(C(=O)O)CC1CN(CCCOc1cccc(CC(N)=O)c1)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 18/20 0.61
NR1H2 P55055 9/20 0.45
RXRA P19793 2/20 0.45
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
VHL P40337 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.36

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
SCHEMBL6512015 0.81 NR1H3 (0.64) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6565757 0.80 NR1H3 (0.63) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6515336 0.79 NR1H3 (0.60) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6512025 0.78 NR1H3 (0.64) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6513480 0.78 NR1H3 (0.60) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6515881 0.78 NR1H3 (0.60) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6512040 0.76 NR1H3 (0.61) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6940623 0.75 NR1H3 (0.66) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6510880 0.74 NR1H3 (0.87) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6515902 0.74 NR1H3 (0.65) 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