SCHEMBL13764650

SCHEMBL13764650

O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)C2CCCC2)c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 20/20 0.78
NR1H2 P55055 18/20 0.78
RXRA P19793 2/20 0.78
MEN1 O00255 1/20 0.78
NR1I2 O75469 1/20 0.78
ALDH1A1 P00352 1/20 0.78
MAPT P10636 1/20 0.78
VHL P40337 1/20 0.78
RECQL P46063 1/20 0.78
BLM P54132 1/20 0.78
KMT2A Q03164 1/20 0.78

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
SCHEMBL29383609 0.88 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL2110041 0.88 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL29359875 0.88 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL29378086 0.87 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL320637 0.87 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL29802701 0.87 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL14199114 0.86 NR1H3 (0.87) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4945824 0.86 NR1H3 (0.87) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL3857872 0.86 NR1H3 (0.86) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL14199136 0.86 NR1H3 (0.86) 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
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed