SCHEMBL13764648

SCHEMBL13764648

CCC(C(=O)O)c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 20/20 0.81
NR1H2 P55055 19/20 0.81
RXRA P19793 2/20 0.75
MEN1 O00255 1/20 0.73
NR1I2 O75469 1/20 0.73
ALDH1A1 P00352 1/20 0.73
MAPT P10636 1/20 0.73
VHL P40337 1/20 0.73
RECQL P46063 1/20 0.73
BLM P54132 1/20 0.73
KMT2A Q03164 1/20 0.73

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
SCHEMBL3979043 1.00 NR1H3 (0.81) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL3982885 0.99 NR1H3 (0.80) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4280646 0.93 NR1H3 (0.79) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL13764645 0.93 NR1H3 (0.79) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL3981012 0.93 NR1H3 (0.78) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL13764647 0.93 NR1H3 (0.78) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL3976673 0.93 NR1H3 (0.78) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL3979418 0.92 NR1H3 (0.77) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL13764649 0.92 NR1H3 (0.81) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL3977525 0.92 NR1H3 (0.81) 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