SCHEMBL13678485

SCHEMBL13678485

CC(C)Oc1cc(OC(C)(C)C(=O)N=O)cc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ GCK P35557 11/20 0.37
▸ RARA P10276 1/20 0.37
▸ RARB P10826 1/20 0.37
▸ RARG P13631 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1793221 0.85 KMT2A (0.49) KMT2ARXRARXRBALDH1A1GCK
SCHEMBL151012 0.80 KMT2A (0.64) KMT2ARXRARXRBALDH1A1GCK
SCHEMBL2563350 0.78 KMT2A (0.50) KMT2ARXRARXRBALDH1A1GCK
SCHEMBL13870168 0.77 KMT2A (0.46) KMT2ARXRARXRBALDH1A1GCK
SCHEMBL17060010 0.77 KMT2A (0.64) KMT2ARXRARXRBALDH1A1GCK
SCHEMBL2666313 0.75 PPARA (0.41) KMT2ARXRARXRBALDH1A1GCK
SCHEMBL2657806 0.74 KMT2A (0.56) KMT2ARXRARXRBALDH1A1GCK
SCHEMBL18311267 0.74 KMT2A (0.56) KMT2ARXRARXRBALDH1A1GCK
SCHEMBL15445136 0.73 PPARA (0.52) KMT2AALDH1A1MEN1KDM4ECYP2C9
SCHEMBL14190690 0.73 PPARA (0.40) KMT2ARXRARXRBALDH1A1GCK

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-1568367-B3 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-09-02 — — EP disclosed
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