SCHEMBL31336015

SCHEMBL31336015

O=C(OCc1ccccc1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.58
HTT P42858 1/20 0.56
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 3/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HSP90AA1 P07900 1/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
NR4A2 P43354 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.50
ALOX5 P09917 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL4943007 1.00 MAOB (0.58) MAOBHTTALDH1A1TDP1KMT2A
SCHEMBL22438915 0.90 MEN1 (0.65) MAOBHTTALDH1A1KMT2AMEN1
SCHEMBL7373666 0.89 ALDH1A1 (0.61) MAOBALDH1A1TDP1KMT2AMEN1
SCHEMBL4200621 0.88 MAOB (0.71) MAOBALDH1A1TDP1KMT2AMEN1
SCHEMBL3189637 0.88 TDP1 (0.58) MAOBHTTALDH1A1TDP1KMT2A
SCHEMBL3198417 0.88 TDP1 (0.56) MAOBHTTALDH1A1TDP1KMT2A
SCHEMBL23809724 0.87 ALDH1A1 (0.62) HTTALDH1A1TDP1KMT2AMEN1
SCHEMBL3962253 0.87 MAOB (0.61) MAOBALDH1A1KMT2AMEN1NR4A2
SCHEMBL3454792 0.86 PARP15 (0.62) MAOBKMT2AMEN1NR4A2NR4A1
SCHEMBL630698 0.86 MEN1 (0.57) MAOBHTTALDH1A1TDP1KMT2A

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-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed