Glutaconate

Glutaconate

SCHEMBL21409615

CCCCOC(=O)/C=C/CC(=O)OCCCC.O=C(O)/C=C/CC(=O)O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.61
ATM Q13315 1/20 0.54
APP P05067 5/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
Glutaconate SCHEMBL21409617 1.00 HCAR2 (0.61) HCAR2ATMAPPHPGDTSHR
SCHEMBL21409748 0.89 ATM (0.68) HCAR2ATMAPPHPGDTSHR
SCHEMBL25331149 0.89 ATM (0.68) HCAR2ATMAPPHPGDTSHR
SCHEMBL27998553 0.89 HCAR2 (0.59) HCAR2ATMHPGDTSHRMAPT
SCHEMBL7060029 0.89 ATM (0.68) HCAR2ATMAPPHPGDTSHR
SCHEMBL31023368 0.84 HCAR2 (0.66) HCAR2ATMAPPHPGDTSHR
SCHEMBL31023339 0.83 HCAR2 (0.67) HCAR2ATMAPPHPGDTSHR
SCHEMBL31023271 0.83 HCAR2 (0.67) HCAR2ATMAPPHPGDTSHR
SCHEMBL31023281 0.83 HCAR2 (0.67) HCAR2ATMAPPHPGDTSHR
SCHEMBL31023349 0.83 HCAR2 (0.67) HCAR2ATMAPPHPGDTSHR

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
WO-2019188527-A1 ACRYLIC RUBBER, ACRYLIC RUBBER COMPOSITION, ACRYLIC RUBBER CROSSLINKED PRODUCT, SEAL MATERIAL, AND HOSE MATERIAL 日本ゼオン株式会社 2019-10-03 WO disclosed
WO-2019188525-A1 ACRYLIC RUBBER, ACRYLIC RUBBER COMPOSITION, CROSSLINKED ACRYLIC RUBBER PRODUCT, SEALING MATERIAL, AND HOSE MATERIAL 日本ゼオン株式会社 2019-10-03 WO disclosed