SCHEMBL26032291

SCHEMBL26032291

O=C/C=C/C(=O)OCCn1ccccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PSMB1 P20618 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HCAR2 Q8TDS4 2/20 0.36
AKR1B10 O60218 2/20 0.35
AKR1B1 P15121 2/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PSMB5 P28074 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
SCHEMBL16090946 0.83 LMNA (0.45) L3MBTL1NPC1MITFLMNATP53
SCHEMBL11528658 0.81 THRB (0.49) L3MBTL1NPC1MITFLMNATP53
SCHEMBL29177490 0.76 L3MBTL1 (0.51) L3MBTL1NPC1MITFLMNATP53
SCHEMBL27739460 0.76 L3MBTL1 (0.51) L3MBTL1NPC1MITFLMNATP53
SCHEMBL26033225 0.76 MEN1 (0.69) LMNASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL28748119 0.74 KDM4E (0.56) L3MBTL1NPC1MITFLMNATP53
SCHEMBL26032555 0.72 ALDH1A1 (0.43) SMN1; SMN2KMT2ATSHRKDM4EALDH1A1
SCHEMBL9752736 0.71 L3MBTL1 (0.60) L3MBTL1NPC1MITFLMNATP53
SCHEMBL21334490 0.70 LMNA (0.49) L3MBTL1NPC1MITFLMNATP53
SCHEMBL9752573 0.70 L3MBTL1 (0.58) L3MBTL1NPC1MITFLMNATP53

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-4230264-A2 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES Alkermes Pharma Ireland Limited (IE) 2023-08-23 EP disclosed