SCHEMBL23929239

SCHEMBL23929239

O=C(/C=C(\O)C(=O)O)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.56
KEAP1 Q14145 1/20 0.55
ALDH1A1 P00352 2/20 0.52
FFAR1 O14842 2/20 0.52
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.50
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL23929240 1.00 GPR52 (0.56) GPR52KEAP1ALDH1A1FFAR1MAPT
SCHEMBL14571875 0.82 GPR52 (0.58) GPR52KEAP1ALDH1A1FFAR1MAPT
SCHEMBL28945946 0.82 GPR52 (0.58) GPR52KEAP1ALDH1A1FFAR1MAPT
SCHEMBL6207002 0.81 GPR52 (0.53) GPR52KEAP1ALDH1A1FFAR1MAPT
SCHEMBL6990805 0.81 GPR52 (0.49) GPR52KEAP1ALDH1A1FFAR1MAPT
SCHEMBL6990808 0.81 GPR52 (0.49) GPR52KEAP1ALDH1A1FFAR1MAPT
SCHEMBL3638330 0.81 ALDH1A1 (0.62) GPR52KEAP1ALDH1A1FFAR1MAPT
SCHEMBL17429280 0.79 ALDH1A1 (0.66) GPR52KEAP1ALDH1A1FFAR1MAPT
SCHEMBL1062338 0.79 L3MBTL1 (0.49) GPR52KEAP1ALDH1A1MAPTTDP1
SCHEMBL1062335 0.79 L3MBTL1 (0.49) GPR52KEAP1ALDH1A1MAPTTDP1

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-4139275-A1 COMPOUNDS AND PHARMACEUTICAL USES THEREOF Syneurx International (Taiwan) Corp. (TW) 2023-03-01 EP disclosed
WO-2021213500-A1 COMPOUNDS AND PHARMACEUTICAL USES THEREOF SYNEURX INTERNATIONAL (TAIWAN) CORP. (CN) 2021-10-28 WO disclosed