SCHEMBL3662223

SCHEMBL3662223

CCC(CC)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 3/20 0.48
▸ FABP7 O15540 2/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ EPHX2 P34913 1/20 0.43
▸ CASP3 P42574 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MDM4 O15151 2/20 0.39
▸ TP53 P04637 2/20 0.39

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
SCHEMBL1000148 0.84 KMT2A (0.48) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL1000147 0.84 KMT2A (0.48) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL29468874 0.84 KMT2A (0.48) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL14689743 0.83 KMT2A (0.49) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL15315503 0.82 KMT2A (0.48) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL27597924 0.82 CHRM2 (0.52) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL8453047 0.81 KMT2A (0.50) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL10110895 0.80 KMT2A (0.51) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL29456842 0.80 KMT2A (0.51) FABP5FABP7KMT2AEPHX2CASP3
Hydrochloric Acid SCHEMBL3162302 0.80 KMT2A (0.49) FABP5FABP7KMT2AEPHX2CASP3

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-2234615-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS Wyeth LLC (US) 2010-10-06 — — EP disclosed
WO-2009079624-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-06-25 — — WO disclosed
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