Glutaconate

Glutaconate

SCHEMBL31023345

CCCCOCCCC.O=C(O)C=CCC(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.50
ATM Q13315 1/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
EPHX2 P34913 1/20 0.38
CYP3A4 P08684 1/20 0.37
RARB P10826 1/20 0.36
CES2 O00748 1/20 0.36
HPGD P15428 1/20 0.36
PTPN1 P18031 1/20 0.36

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
Maleic Acid SCHEMBL12981050 0.84 HCAR2 (0.67) HCAR2ATMTSHRALDH1A1CYP3A4
Fumaric Acid SCHEMBL5935166 0.84 HCAR2 (0.67) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL809307 0.81 HCAR2 (0.53) HCAR2ATMTSHRALDH1A1CES2
Glutaconate SCHEMBL21409615 0.79 HCAR2 (0.61) HCAR2ATMTSHRALDH1A1HPGD
Glutaconate SCHEMBL21409617 0.79 HCAR2 (0.61) HCAR2ATMTSHRALDH1A1HPGD
Crotonic Acid SCHEMBL28102986 0.79 HCAR2 (0.55) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL18171852 0.78 HCAR2 (0.44) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL25331149 0.78 ATM (0.68) HCAR2ATMTSHRALDH1A1CYP2D6
SCHEMBL10644936 0.78 HCAR2 (0.53) HCAR2EPHX2CES2PTPN1
SCHEMBL27998553 0.78 HCAR2 (0.59) HCAR2ATMTSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4410932-A1 LUBRICITY IMPROVER AND APPLICATION THEREOF IN OIL PRODUCT China Petroleum & Chemical Corporation (CN) 2024-08-07 EP disclosed