SCHEMBL8428469

SCHEMBL8428469

COc1ccc2c(c1)C(Cc1nnn[nH]1)=C(C)C2=Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.49
PPARG P37231 4/20 0.38
PDE2A O00408 3/20 0.33
NR3C1 P04150 1/20 0.33
LCK P06239 1/20 0.33
EGFR P00533 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAPT P10636 1/20 0.32
DRD1 P21728 1/20 0.32
PTGS1 P23219 1/20 0.32
MAPK1 P28482 1/20 0.32
PTGS2 P35354 1/20 0.32
OPRM1 P35372 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8428313 0.91 RXRA (0.46) RXRAPPARGPDE2ALCKPTGS1
SCHEMBL8428373 0.87 RXRA (0.39) RXRAPPARGLCKCYP1A2MAPT
SCHEMBL8428330 0.86 RXRA (0.48) RXRAPPARGNR3C1
SCHEMBL8430200 0.86 MAOB (0.40) RXRAPPARGLCKMAPTMAPK1
SCHEMBL8432133 0.81 PPARG (0.45) RXRAPPARGLCKEGFRMAPT
SCHEMBL8428249 0.78 MEN1 (0.35) PPARGEGFRMAPTMAPK1TDP1
SCHEMBL8428246 0.77 RXRA (0.48) RXRAPPARGLCKEGFRCYP1A2
SCHEMBL8428468 0.77 MEN1 (0.39) RXRALCKCYP1A2MAPTMAPK1
SCHEMBL25305589 0.75 RXRA (0.46) RXRAPPARG
SCHEMBL8430717 0.75 RXRA (0.39) RXRAPPARGEGFRCYP1A2ADORA3

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-5965619-A ADMINISTERING AN INDENE DERIVATIVE OF GIVEN FORMULA, SUCH AS 1-(2,4,6-TRIMETHOXYBENZYLIDENE)-5-DIMETHYLAMINO-2-METHYL-3-INDENYL ACETIC ACID, TO TREAT PRECANCEROUS LESIONS SUCH AS COLONIC ADENOMATOUS POLYPS; SIDE EFFECT REDUCTION CELL PATHWAYS INC. (US) 1999-10-12 US disclosed