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SCHEMBL13805380

SCHEMBL13805380

CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C=O)c2)c(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.79
▸ MEN1 O00255 1/20 0.79
▸ FABP1 P07148 1/20 0.79
▸ THRB P10828 1/20 0.79
▸ LIFR P42702 1/20 0.79
▸ RECQL P46063 1/20 0.79
▸ BLM P54132 1/20 0.79
▸ KMT2A Q03164 1/20 0.79
▸ HSD17B13 Q7Z5P4 1/20 0.79

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
SCHEMBL12932245 0.91 NR1H4 (0.81) NR1H4MEN1FABP1THRBLIFR
SCHEMBL12168737 0.91 NR1H4 (0.75) NR1H4MEN1FABP1THRBLIFR
SCHEMBL16917074 0.90 NR1H4 (0.77) NR1H4MEN1FABP1THRBLIFR
SCHEMBL16917082 0.90 NR1H4 (0.77) NR1H4MEN1FABP1THRBLIFR
SCHEMBL3994761 0.89 NR1H4 (0.69) NR1H4MEN1FABP1THRBLIFR
SCHEMBL29459634 0.88 NR1H4 (1.00) NR1H4MEN1FABP1THRBLIFR
SCHEMBL3996237 0.88 NR1H4 (1.00) NR1H4MEN1FABP1THRBLIFR
SCHEMBL29354246 0.88 NR1H4 (1.00) NR1H4MEN1FABP1THRBLIFR
SCHEMBL3996233 0.88 NR1H4 (1.00) NR1H4MEN1FABP1THRBLIFR
SCHEMBL2491489 0.87 NR1H4 (0.85) NR1H4MEN1FABP1THRBLIFR

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-1140079-B1 ASSAYS FOR LIGANDS FOR NUCLEAR RECEPTORS GLAXO GROUP LTD (GB) 2009-06-03 — — EP disclosed
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