SCHEMBL24616697

SCHEMBL24616697

O=C(O)COC(=O)/C=C/C(=O)OC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 1/20 0.37
NAAA Q02083 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HTT P42858 2/20 0.35
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
CYP19A1 P11511 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6523609 0.86 CYP2C19 (0.44) EPHX1L3MBTL1CYP2C19NAAAHTT
SCHEMBL6516003 0.86 CYP2C19 (0.44) EPHX1L3MBTL1CYP2C19NAAAHTT
SCHEMBL6514416 0.84 NAAA (0.41) EPHX1CYP2C19NAAAHTTTHRB
Succinic Acid SCHEMBL28225254 0.84 SMN1; SMN2 (0.46) EPHX1L3MBTL1CYP2C19NAAAHTT
Malonic Acid SCHEMBL28101171 0.84 EPHX1 (0.46) EPHX1L3MBTL1CYP2C19NAAAHTT
SCHEMBL29676987 0.83 LMNA (0.39) EPHX1L3MBTL1CYP2C19NAAAPTGDR2
SCHEMBL6513751 0.83 EPHX1 (0.37) EPHX1L3MBTL1CYP2C19NAAAHTT
SCHEMBL24616788 0.83 LMNA (0.39) EPHX1L3MBTL1CYP2C19NAAAPTGDR2
SCHEMBL6523997 0.83 EPHX1 (0.37) EPHX1L3MBTL1CYP2C19NAAAHTT
Bicarbonate SCHEMBL28128083 0.83 EPHX1 (0.45) EPHX1L3MBTL1CYP2C19NAAAHTT

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 4 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-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