SCHEMBL8204937

SCHEMBL8204937

[CH2]c1ccc(OC)c(OCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
MAOB P27338 6/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
SLC6A4 P31645 1/20 0.43
IDO1 P14902 2/20 0.42
FFAR2 O15552 1/20 0.42
APP P05067 1/20 0.41

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
SCHEMBL5511230 0.83 NPC1 (0.51) RXRARXRBRXRGPPARDPPARA
SCHEMBL5514300 0.83 PPARD (0.46) RXRARXRBRXRGPPARDPPARA
SCHEMBL6674358 0.80 SMPD1 (0.56) APP
SCHEMBL30889094 0.80 APP (0.63) RXRAMAOBIDO1APP
SCHEMBL1332171 0.79 HTR2C (0.59) RXRARXRBRXRGSLC6A4
SCHEMBL30354895 0.77 MAOB (0.57) MAOBSLC6A4IDO1
SCHEMBL16797024 0.75 KDM4E (0.60) MAOB
SCHEMBL855955 0.75 MAOB (0.62) RXRARXRBRXRGMAOB
SCHEMBL5052312 0.74 NPC1 (0.57) APP
SCHEMBL856842 0.74 ALDH1A1 (0.60)

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
US-6043226-A TREATING BACTERIAL, PARASITIC AND PROTOZOAL INFECTIONS PFIZER INC. (US) 2000-03-28 US disclosed