SCHEMBL20876113

SCHEMBL20876113

O=C(O)CC(C(=O)O)C(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
GABBR2 O75899 1/20 0.48
GABBR1 Q9UBS5 1/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP2D6 P10635 1/20 0.45
SRC P12931 1/20 0.45
CYP2C19 P33261 1/20 0.44
CPA1 P15085 2/20 0.44
CPB1 P15086 1/20 0.44
CPA3 P15088 1/20 0.44
CPB2 Q96IY4 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL9305402 0.86 TDP1 (0.52) TDP1GABBR2GABBR1LMNAMAPK1
SCHEMBL27559595 0.82 LMNA (0.50) LMNAMAPK1CYP2D6SRCMAPT
SCHEMBL3965853 0.80 KMT2A (0.53) GABBR2GABBR1LMNAMAPK1MAPT
SCHEMBL27473187 0.80 SLC6A2 (0.55) GABBR2GABBR1LMNAMAPK1CYP2D6
SCHEMBL687445 0.80 LMNA (0.52) LMNAMAPK1CYP2D6SRCMAPT
SCHEMBL7056950 0.80 LMNA (0.52) LMNAMAPK1CYP2D6SRCMAPT
SCHEMBL2387431 0.80 CYP2D6 (0.61) TDP1GABBR2GABBR1LMNAMAPK1
SCHEMBL295743 0.80 LMNA (0.52) LMNAMAPK1CYP2D6SRCMAPT
SCHEMBL9196225 0.78 HTT (0.55) TDP1GABBR2GABBR1CYP2D6
Hydrochloric Acid SCHEMBL8672779 0.77 TDP1 (0.46) TDP1GABBR2GABBR1LMNAMAPK1

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-3691624-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOSE INTOLERANCE RELATED CONDITIONS AND OBESITY. Sorbonne Université (FR) 2020-08-12 EP disclosed
WO-2019068788-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOSE INTOLERANCE RELATED CONDITIONS AND OBESITY. Sorbonne Université (FR) 2019-04-11 WO disclosed