SCHEMBL8047882

SCHEMBL8047882

CCCCOc1cc(CC(=O)OC)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.49
PPARA Q07869 5/20 0.49
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
PPARG P37231 4/20 0.47
PSEN1 P49768 2/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
LMNA P02545 1/20 0.44
FAAH O00519 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL5444853 0.84 PPARD (0.54) PPARDPPARARXRARXRBRXRG
SCHEMBL1592608 0.83 PSEN1 (0.59) PPARDPPARARXRARXRBRXRG
SCHEMBL12724670 0.81 CNR1 (0.47) PPARDPPARAPPARGLMNAFAAH
SCHEMBL478056 0.81 RXRA (0.48) PPARDPPARARXRARXRBRXRG
SCHEMBL5123958 0.80 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL12703212 0.79 PPARD (0.47) PPARDPPARARXRARXRBRXRG
SCHEMBL491285 0.78 PPARD (0.49) PPARDPPARARXRARXRBRXRG
SCHEMBL5050131 0.78 RXRA (0.49) PPARDRXRARXRBRXRGPSEN1
SCHEMBL14477117 0.77 CYP4F2 (0.53) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL6270689 0.75 AGXT (0.56) RXRAPSEN1PSEN2APH1BNCSTN

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
WO-2009067493-A2 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS ENVIVO PHARMACEUTICALS, INC. (US) 2009-05-28 WO disclosed