SCHEMBL29396065

SCHEMBL29396065

O=C(O)/C=C/C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.53
FABP5 Q01469 3/20 0.51
FABP7 O15540 2/20 0.51
KMT2A Q03164 2/20 0.49
EPHX2 P34913 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CASP3 P42574 2/20 0.44

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
SCHEMBL24616691 1.00 HCAR2 (0.53) HCAR2FABP5FABP7KMT2AEPHX2
SCHEMBL3403774 0.86 KMT2A (0.51) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL15304743 0.84 KMT2A (0.49) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL28409271 0.84 KMT2A (0.46) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL28090508 0.82 KMT2A (0.52) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL68446 0.81 KMT2A (0.51) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL27794412 0.81 KMT2A (0.55) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL44677 0.80 FABP5 (0.59) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL29381061 0.80 FABP5 (0.59) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL29901230 0.80 FABP5 (0.59) FABP5FABP7KMT2AEPHX2CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4200275-A2 FUMARATE DERIVATIVES AND THEIR MEDICAL USE Sitryx Therapeutics Limited (GB) 2023-06-28 EP disclosed
WO-2022038365-A9 FUMARATE DERIVATIVES AND THEIR MEDICAL USE SITRYX THERAPEUTICS LIMITED (GB) 2022-07-14 WO disclosed
WO-2022038365-A2 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-02-24 WO disclosed