SCHEMBL8428198

SCHEMBL8428198

COc1ccc2c(c1)C(CC#N)=C(C)C2=Cc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.50
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
RELA Q04206 1/20 0.42
XDH P47989 2/20 0.39
LCK P06239 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
EGFR P00533 1/20 0.38
RXRA P19793 1/20 0.37

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
SCHEMBL8430723 0.88 RXRA (0.43) PPARGMEN1HPGDKMT2AMAPT
SCHEMBL8432304 0.81 AR (0.40) PPARGMEN1KMT2AMAPTRELA
SCHEMBL8432124 0.79 MAOB (0.45) PPARGMEN1ALDH1A1KMT2AMAPT
SCHEMBL8428246 0.78 RXRA (0.48) PPARGMEN1ALDH1A1KMT2AMAPT
SCHEMBL8432133 0.77 PPARG (0.45) PPARGMEN1ALDH1A1HPGDKMT2A
SCHEMBL8432058 0.76 PPARG (0.40) PPARGMAPTLCKEGFRRXRA
SCHEMBL8154649 0.74 RXRA (0.44) PPARGMEN1HPGDKMT2AMAPT
SCHEMBL8154646 0.74 RXRA (0.44) PPARGMEN1HPGDKMT2AMAPT
SCHEMBL8432071 0.73 PPARG (0.41) PPARGMEN1ALDH1A1KMT2AMAPT
SCHEMBL8155194 0.73 PPARG (0.52) PPARGMEN1ALDH1A1HPGDKMT2A

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