SCHEMBL2705447

SCHEMBL2705447

CC(C)(C[CH]c1ccc(Br)cc1F)c1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.38
PTGFR P43088 2/20 0.37
PTGES O14684 2/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
NT5E P21589 1/20 0.32
PYCR1 P32322 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL21598009 0.66 DGAT1 (0.34) LMNAMAPTHTTKMT2APYCR1
SCHEMBL782593 0.63 LMNA (0.46) MEN1LMNAMAPTHTTKMT2A
SCHEMBL782594 0.63 DGAT1 (0.34) CHRM5PTGFRPTGESMEN1LMNA
SCHEMBL1310477 0.63 DGAT1 (0.39) LMNAPYCR1
SCHEMBL2274534 0.62 CASP1 (0.39) MEN1MAPTKMT2APYCR1
SCHEMBL2274536 0.62 CASP1 (0.39) MEN1MAPTKMT2APYCR1
SCHEMBL18494712 0.61 TAAR1 (0.40) MEN1LMNAMAPTHTTKMT2A
SCHEMBL30350650 0.61 DGAT1 (0.36) LMNAMAPTPYCR1
SCHEMBL19510781 0.61 DGAT1 (0.36) LMNAMAPTPYCR1
SCHEMBL2274543 0.61 DGAT1 (0.36) LMNA

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-2435410-A2 LXR MODULATORS Exelixis Patent Company LLC (US) 2012-04-04 EP disclosed
WO-2010138598-A2 LXR MODULATORS EXELIXIS, INC. (US) 2010-12-02 WO disclosed