SCHEMBL8428313

SCHEMBL8428313

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.46
PPARG P37231 3/20 0.38
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
MAOB P27338 1/20 0.33
LCK P06239 1/20 0.33
PDE2A O00408 2/20 0.33
PTGS1 P23219 1/20 0.32
FOXM1 Q08050 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
SCHEMBL8428469 0.91 RXRA (0.49) RXRAPPARGLCKPDE2APTGS1
SCHEMBL8428330 0.90 RXRA (0.48) RXRAPPARGMAOB
SCHEMBL8428373 0.87 RXRA (0.39) RXRAPPARGLCK
SCHEMBL8430200 0.86 MAOB (0.40) RXRAPPARGMAOBLCK
SCHEMBL8432133 0.81 PPARG (0.45) RXRAPPARGLCK
SCHEMBL8428249 0.78 MEN1 (0.35) PPARGMAOB
SCHEMBL24101814 0.77 RXRA (0.54) RXRAPPARG
SCHEMBL30486786 0.77 RXRA (0.54) RXRAPPARG
SCHEMBL8428468 0.77 MEN1 (0.39) RXRALCK
SCHEMBL8430717 0.75 RXRA (0.39) RXRAPPARGPTGS1

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