SCHEMBL9824596

SCHEMBL9824596

O=C(O)CC(=O)COc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.69
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
PTPN7 P35236 1/20 0.55
PTPN12 Q05209 1/20 0.55
ALPL P05186 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
HPGD P15428 1/20 0.53
FFAR1 O14842 1/20 0.52
GAA P10253 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.49
PLA2G4B P0C869 1/20 0.49
HTT P42858 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
SCHEMBL15396047 0.91 ALOX15 (0.68) ALOX15KMT2AMEN1ALDH1A1MAPT
SCHEMBL3898377 0.87 ALOX15 (0.74) ALOX15KMT2AMEN1ALDH1A1MAPT
SCHEMBL2222064 0.84 ALOX15 (0.59) ALOX15KMT2AMEN1ALDH1A1MAPT
SCHEMBL29158553 0.82 ALOX15 (0.57) ALOX15KMT2AMEN1ALDH1A1MAPT
Zinc Ion SCHEMBL30753804 0.82 ALOX15 (0.57) ALOX15KMT2AMEN1ALDH1A1MAPT
SCHEMBL29158554 0.82 ALOX15 (0.57) ALOX15KMT2AMEN1ALDH1A1MAPT
Calcium SCHEMBL30753803 0.82 ALOX15 (0.57) ALOX15KMT2AMEN1ALDH1A1MAPT
SCHEMBL10466578 0.82 L3MBTL1 (0.60) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL15777617 0.82 ALOX15 (0.57) ALOX15KMT2AMEN1ALDH1A1MAPT
SCHEMBL8127 0.82 ALOX15 (1.00) ALOX15KMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160238-B Quinoxaline phenoxyacetic acid ester compound, and preparation method and application thereof 湖南省农业生物技术研究所 2023-07-25 CN disclosed
CN-115160238-A Quinoxaline phenoxyacetic acid ester compound and preparation method and application thereof 湖南省农业生物技术研究所 2022-10-11 CN disclosed
EP-0117961-B1 HETEROCYCLIC DERIVATIVES SUBSTITUTED BY AN AMINO RADICAL, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Albert ROLLAND S.A. Société dite (FR) 1991-04-03 EP disclosed
US-4508541-A DETERGENTS TEXACO INC. (US) 1985-04-02 US disclosed
EP-0117961-A1 Heterocyclic derivatives substituted by an amino radical, processes for their preparation and pharmaceutical compositions containing them Albert ROLLAND S.A. Société dite (FR) 1984-09-12 EP disclosed