SCHEMBL30372113

SCHEMBL30372113

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.59
▸ PSEN2 P49810 1/20 0.59
▸ APH1B Q8WW43 1/20 0.59
▸ NCSTN Q92542 1/20 0.59
▸ APH1A Q96BI3 1/20 0.59
▸ PSENEN Q9NZ42 1/20 0.59
▸ LDHA P00338 2/20 0.51
▸ LDHB P07195 2/20 0.51
▸ CES2 O00748 2/20 0.49
▸ CES1 P23141 2/20 0.49
▸ AKR1C3 P42330 3/20 0.48
▸ AKR1C2 P52895 3/20 0.48
▸ GSK3B P49841 1/20 0.47
▸ PDPK1 O15530 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ ACP3 P15309 1/20 0.46
▸ GRM8 O00222 1/20 0.46
▸ GRM4 Q14833 1/20 0.46
▸ FFAR1 O14842 3/20 0.44
▸ SRD5A2 P31213 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
SCHEMBL28980634 1.00 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30372689 0.95 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31038335 0.87 LDHA (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10898854 0.87 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5361914 0.85 LDHA (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9867124 0.85 LDHA (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1903665 0.85 AKR1C3 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL2763475 0.84 AKR1C3 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL5371089 0.84 LDHA (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4037426 0.82 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A

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
CN-115896821-B Electrically promoted CO2Method for synthesizing diacid compound by participating in ring-opening and dicarboxylating reaction of small ring compound 四川大学 2024-06-11 — — CN disclosed
CN-115896821-A Electrically promoting CO 2 Method for synthesizing diacid compound by participating in ring-opening double-carboxylation reaction of small ring compound 四川大学 2023-04-04 — — CN disclosed
Send feedback