SCHEMBL8428330

SCHEMBL8428330

COc1ccc2c(c1)C(Cc1nnn[nH]1)=C(C)C2=Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.48
PPARG P37231 9/20 0.44
MAOB P27338 1/20 0.38
MAOA P21397 2/20 0.37
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
NR3C1 P04150 1/20 0.34
KDR P35968 1/20 0.33

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 0.90 RXRA (0.46) RXRAPPARGMAOB
SCHEMBL8428469 0.86 RXRA (0.49) RXRAPPARGNR3C1
SCHEMBL8432133 0.86 PPARG (0.45) RXRAPPARG
SCHEMBL8428373 0.81 RXRA (0.39) RXRAPPARG
SCHEMBL8430200 0.80 MAOB (0.40) RXRAPPARGMAOBMAOA
SCHEMBL8430806 0.78 RXRA (0.53) RXRAPPARGMAOBMAOAAKR1C3
SCHEMBL8428249 0.78 MEN1 (0.35) PPARGMAOB
SCHEMBL24101890 0.74 PPARG (0.50) RXRAPPARG
SCHEMBL30095360 0.74 PPARG (0.50) RXRAPPARG
SCHEMBL25305480 0.74 RXRA (0.50) RXRAPPARGNR3C1

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