SCHEMBL6237039

SCHEMBL6237039

CC(N(CC(=O)O)c1ccccc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
POLQ O75417 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A9 P48067 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
SCHEMBL6242051 0.87 MLYCD (0.38) MLYCDL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3863960 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNATP53MEN1
SCHEMBL547492 0.79 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1LMNATP53MEN1
SCHEMBL547805 0.77 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNATP53MEN1
SCHEMBL23422467 0.75 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1LMNATP53GLA
SCHEMBL16858004 0.74 NPSR1 (0.41) L3MBTL1SMN1; SMN2ALDH1A1LMNATP53
SCHEMBL9119942 0.73 MAOB (0.51)
SCHEMBL3289116 0.73 AR (0.59)
SCHEMBL7639218 0.73 NPSR1 (0.40) L3MBTL1SMN1; SMN2ALDH1A1LMNATP53
SCHEMBL8597741 0.72 NPSR1 (0.39) L3MBTL1SMN1; SMN2ALDH1A1LMNATP53

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-1509495-A1 ANILINO LIVER X-RECEPTOR MODULATORS Pharmacia Corporation (US) 2005-03-02 EP disclosed
WO-2003099769-A1 ANILINO LIVER X-RECEPTOR MODULATORS PHARMACIA CORPORATION (US) 2003-12-04 WO disclosed