SCHEMBL14944181

SCHEMBL14944181

Cc1ccc(Cn2c(-c3ccc(O)c(Cl)c3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.47
NR1H3 Q13133 4/20 0.47
RXRA P19793 3/20 0.47
ALDH1A1 P00352 7/20 0.39
HPGD P15428 3/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 6/20 0.38
AR P10275 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
CYP19A1 P11511 2/20 0.35
POLB P06746 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35

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
SCHEMBL2264361 0.92 NR1H2 (0.49) NR1H2NR1H3RXRAALDH1A1HPGD
SCHEMBL2264755 0.88 NR1H2 (0.52) NR1H2NR1H3RXRAALDH1A1HPGD
SCHEMBL2262884 0.88 NR1H2 (0.52) NR1H2NR1H3RXRAALDH1A1HPGD
SCHEMBL2266112 0.87 NR1H2 (0.56) NR1H2NR1H3RXRAALDH1A1HPGD
SCHEMBL4904761 0.87 NR1H2 (0.52) NR1H2NR1H3RXRAALDH1A1HPGD
SCHEMBL2264745 0.85 NR1H2 (0.49) NR1H2NR1H3RXRAALDH1A1HPGD
SCHEMBL2264167 0.84 NR1H2 (0.51) NR1H2NR1H3RXRAALDH1A1HPGD
SCHEMBL4906529 0.84 NR1H2 (0.48) NR1H2NR1H3RXRAALDH1A1HPGD
SCHEMBL2268665 0.84 NR1H2 (0.50) NR1H2NR1H3RXRAALDH1A1HPGD
SCHEMBL4907487 0.84 RXRA (0.66) NR1H2NR1H3RXRAALDH1A1HPGD

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-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed