SCHEMBL6940272

SCHEMBL6940272

NC(=O)c1cccc(OCCCN(Cc2ccccc2C(=O)O)CC(c2ccccc2)c2ccccc2)c1.NC(=O)c1ccccc1OCCCN(Cc1c(Cl)cccc1Cl)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 18/20 0.57
NR1H2 P55055 8/20 0.57
RXRA P19793 2/20 0.57
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
VHL P40337 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.40
NR4A2 P43354 1/20 0.40
RAB9A P51151 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL6511072 0.88 NR1H3 (0.67) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6511060 0.77 NR1H3 (0.76) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4950893 0.76 NR1H3 (0.87) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6513456 0.75 NR1H3 (0.76) NR1H3NR1H2RXRAMEN1NR1I2
Trifluoroacetic Acid SCHEMBL4949967 0.74 NR1H3 (0.82) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6565682 0.74 NR1H3 (0.74) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6512194 0.73 NR1H3 (0.60) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6513470 0.72 NR1H3 (0.72) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL3981588 0.72 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6511924 0.72 NR1H3 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318976-A2 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LIMITED (GB) 2003-06-18 EP disclosed
WO-2002024632-A2 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LIMITED (GB) 2002-03-28 WO disclosed