SCHEMBL8428246

SCHEMBL8428246

COc1ccc2c(c1)C(CC#N)=C(C)C2=Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.48
PPARG P37231 5/20 0.41
LCK P06239 2/20 0.37
CYP1A2 P05177 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 3/20 0.35
PTGS2 P35354 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
EGFR P00533 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
DRD1 P21728 1/20 0.35
PTGS1 P23219 1/20 0.35
OPRM1 P35372 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35

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
SCHEMBL8432058 0.86 PPARG (0.40) RXRAPPARGLCKCYP1A2MAPT
SCHEMBL8430723 0.85 RXRA (0.43) RXRAPPARGLCKMAPTKMT2A
SCHEMBL8430806 0.84 RXRA (0.53) RXRAPPARGMAPTKMT2AMEN1
SCHEMBL8432124 0.83 MAOB (0.45) RXRAPPARGLCKMAPTMAPK1
SCHEMBL8428198 0.78 PPARG (0.50) RXRAPPARGLCKMAPTEGFR
SCHEMBL8428469 0.77 RXRA (0.49) RXRAPPARGLCKCYP1A2MAPT
SCHEMBL8432304 0.75 AR (0.40) PPARGMAPTMAPK1TDP1EGFR
SCHEMBL8432108 0.72 RXRA (0.51) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL8154649 0.71 RXRA (0.44) RXRAPPARGLCKMAPTPTGS1
SCHEMBL8154646 0.71 RXRA (0.44) RXRAPPARGLCKMAPTPTGS1

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