SCHEMBL9867124

SCHEMBL9867124

O=C(O)CC(C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.56
LDHB P07195 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
FFAR1 O14842 6/20 0.52
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
PDPK1 O15530 1/20 0.48
EEF2K O00418 2/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PPARG P37231 1/20 0.45
GSK3B P49841 1/20 0.44

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
SCHEMBL28440688 0.95 FFAR1 (0.59) LDHALDHBL3MBTL1ALDH1A1GAA
SCHEMBL28980634 0.85 PSEN1 (0.59) LDHALDHBFFAR1PSEN1PSEN2
SCHEMBL30372113 0.85 PSEN1 (0.59) LDHALDHBFFAR1PSEN1PSEN2
SCHEMBL11137284 0.84 L3MBTL1 (0.71) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL31038335 0.84 LDHA (0.50) LDHALDHBFFAR1PSEN1PSEN2
SCHEMBL7485566 0.83 FFAR1 (0.56) FFAR1PDPK1EEF2KCES2CES1
SCHEMBL3914415 0.82 FFAR1 (0.57) LDHALDHBFFAR1PSEN1PSEN2
SCHEMBL30410294 0.82 LDHB (0.61) LDHALDHBL3MBTL1FFAR1EEF2K
SCHEMBL1903665 0.82 AKR1C3 (0.59) LDHALDHBALDH1A1POLBPSEN1
SCHEMBL5361914 0.82 LDHA (0.49) LDHALDHBFFAR1PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110028403-B Method for synthesizing succinic acid compound 四川大学 2020-08-11 CN disclosed
CN-110028403-A A kind of method of synthesizing succinic acid class compound 四川大学 2019-07-19 CN disclosed
US-4999359-A Analgesics DR. LO ZAMBELETTI S.P.A. (IT) 1991-03-12 US disclosed