SCHEMBL1754657

SCHEMBL1754657

COc1c(OCC(=O)NCCC(C)=O)cccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.56
NR1H3 Q13133 14/20 0.56
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1754413 0.94 NR1H2 (0.56) NR1H2NR1H3MEN1KMT2A
SCHEMBL1754351 0.93 NR1H2 (0.58) NR1H2NR1H3MEN1KMT2A
SCHEMBL13575992 0.93 NR1H2 (0.58) NR1H2NR1H3MEN1KMT2A
SCHEMBL1754045 0.92 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL1754718 0.91 NR1H2 (0.56) NR1H2NR1H3MEN1KMT2A
SCHEMBL1754605 0.91 NR1H2 (0.56) NR1H2NR1H3MEN1KMT2A
SCHEMBL1754141 0.89 NR1H2 (0.54) NR1H2NR1H3
SCHEMBL1754471 0.89 NR1H2 (0.57) NR1H2NR1H3MEN1KMT2A
SCHEMBL1754469 0.89 NR1H2 (0.57) NR1H2NR1H3MEN1KMT2A
SCHEMBL13576182 0.88 NR1H2 (0.56) NR1H2NR1H3MEN1KMT2A

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
US-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 US disclosed