SCHEMBL25933760

SCHEMBL25933760

O=C1OCC(COC(=O)C(=O)OCc2ccccc2)O1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL8308521 0.81 LMNA (0.58) L3MBTL1LMNA
SCHEMBL883429 0.81 LMNA (0.58) L3MBTL1LMNA
SCHEMBL7303014 0.81 LMNA (0.58) L3MBTL1LMNA
SCHEMBL1301025 0.79 BCHE (0.49) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL21065650 0.79 L3MBTL1 (0.49) MEN1KMT2AL3MBTL1MAPK1NPC1
SCHEMBL16683966 0.77 L3MBTL1 (0.60) NPSR1L3MBTL1MAPK1ALDH1A1NPC1
SCHEMBL20253575 0.77 FABP7 (0.46) MEN1KMT2AL3MBTL1MAPK1ALDH1A1
SCHEMBL230593 0.77 L3MBTL1 (0.41) MGLLL3MBTL1MAPK1
SCHEMBL9644012 0.76 L3MBTL1 (0.38) MGLLL3MBTL1MAPK1ALDH1A1
SCHEMBL19769965 0.76 L3MBTL1 (0.58) MGLLNPSR1L3MBTL1MAPK1ALDH1A1

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-4223825-A1 POLYURETHANE RESINS WITH EPOXY AND CYCLIC CARBONATE FUNCTIONAL GROUPS AND THEIR THERMOSETTING POLYMERS Covestro LLC (US) 2023-08-09 EP disclosed