SCHEMBL8432133

SCHEMBL8432133

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.45
RELA Q04206 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
XDH P47989 2/20 0.35
LCK P06239 1/20 0.35
EGFR P00533 1/20 0.34
MDM2 Q00987 1/20 0.34
PIK3CB P42338 1/20 0.33
RXRA P19793 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
SCHEMBL8428373 0.89 RXRA (0.39) PPARGMEN1MAPTHPGDKMT2A
SCHEMBL8428330 0.86 RXRA (0.48) PPARGRXRA
SCHEMBL8428249 0.84 MEN1 (0.35) PPARGRELAMEN1ALDH1A1MAPT
SCHEMBL8430200 0.82 MAOB (0.40) PPARGMEN1MAPTKMT2ALCK
SCHEMBL8428469 0.81 RXRA (0.49) PPARGMAPTLCKEGFRRXRA
SCHEMBL8428313 0.81 RXRA (0.46) PPARGLCKRXRA
SCHEMBL8428468 0.79 MEN1 (0.39) MEN1MAPTHPGDKMT2ALCK
SCHEMBL8428198 0.77 PPARG (0.50) PPARGRELAMEN1ALDH1A1MAPT
SCHEMBL8430717 0.77 RXRA (0.39) PPARGMEN1ALDH1A1MAPTKMT2A
SCHEMBL24101890 0.77 PPARG (0.50) PPARGMEN1ALDH1A1MAPTHPGD

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