SCHEMBL26679402

SCHEMBL26679402

O=C(O)CCCc1cc(F)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.43
KEAP1 Q14145 1/20 0.43
DCLRE1B Q9H816 1/20 0.43
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MPO P05164 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL10786940 0.83 HSD17B10 (0.46) F13A1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL8240809 0.83 PSEN1 (0.47) F13A1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL17011669 0.83 F13A1 (0.46) F13A1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL30293741 0.81 F13A1 (0.44) F13A1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL26866 0.81 KEAP1 (0.47) KEAP1DCLRE1BMEN1KMT2A
SCHEMBL6956901 0.81 FFAR1 (0.50) F13A1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL3285024 0.81 RARB (0.56) MEN1KMT2A
SCHEMBL28632810 0.80 F13A1 (0.43) F13A1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL26679390 0.80 TSHR (0.47) F13A1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL26679325 0.80 SMN1; SMN2 (0.50) F13A1DCLRE1BHDAC3MAPK1ADRA1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522595-A2 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS The Scripps Research Institute (US) 2025-03-19 EP disclosed
WO-2023220559-A2 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-16 WO disclosed
WO-2023220559-A2 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-16 WO disclosed