SCHEMBL26679439

SCHEMBL26679439

O=C(O)CCCc1cc(-c2ccccc2)ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 3/20 0.62
DCLRE1A Q6PJP8 1/20 0.62
ACMSD Q8TDX5 3/20 0.51
HNF4A P41235 2/20 0.51
FFAR1 O14842 4/20 0.49
ACLY P53396 2/20 0.48
PTGER1 P34995 1/20 0.48
PTGER4 P35408 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
DHFR P00374 1/20 0.47
MCL1 Q07820 1/20 0.47
HDAC1 Q13547 2/20 0.47
SMN1; SMN2 Q16637 2/20 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
HDAC7 Q8WUI4 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
SCHEMBL7763818 0.85 F13A1 (0.50) DCLRE1BDCLRE1AACMSDHNF4AFFAR1
SCHEMBL4948042 0.81 HDAC1 (0.52) ACMSDHNF4AFFAR1PTGER1PTGER4
SCHEMBL7019419 0.81 DCLRE1B (0.66) DCLRE1BDCLRE1AACMSDHNF4AACLY
SCHEMBL10786940 0.80 HSD17B10 (0.46) HDAC1SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL30637100 0.80 FOLH1 (0.61) FFAR1HDAC1SMN1; SMN2HDAC3MAPK1
SCHEMBL9759595 0.80 FOLH1 (0.61) FFAR1HDAC1SMN1; SMN2HDAC3MAPK1
SCHEMBL10397478 0.78 DCLRE1B (0.72) DCLRE1BDCLRE1AACMSDHNF4AACLY
SCHEMBL7734727 0.78 FFAR1 (0.47) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL26679390 0.78 TSHR (0.47) PTGER1PTGER4PTGER3PTGER2HDAC1
SCHEMBL26679402 0.78 F13A1 (0.43) DCLRE1BFFAR1HDAC1SMN1; SMN2HDAC3

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-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