SCHEMBL8432108

SCHEMBL8432108

CC1=C(CC#N)c2cc(N(C)C)ccc2C1=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.51
PPARG P37231 4/20 0.38
MAPT P10636 6/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 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

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
SCHEMBL8428736 0.85 PPARG (0.38) RXRAPPARGMAPTALDH1A1GAA
SCHEMBL8432124 0.79 MAOB (0.45) RXRAPPARGMAPTALDH1A1GAA
SCHEMBL8428246 0.72 RXRA (0.48) RXRAPPARGMAPTALDH1A1CYP1A2
SCHEMBL8430806 0.72 RXRA (0.53) RXRAPPARGMAPTALDH1A1KMT2A
SCHEMBL8432071 0.71 PPARG (0.41) RXRAPPARGMAPTALDH1A1CYP1A2
SCHEMBL11766387 0.70 RXRA (0.47) RXRAPPARGMAPTALDH1A1GAA
SCHEMBL28404113 0.70 PPARG (0.69) RXRAPPARGMAPTALDH1A1CYP1A2
SCHEMBL8147329 0.70 PPARG (0.51) RXRAPPARGMAPTALDH1A1CYP1A2
SCHEMBL8147328 0.70 PPARG (0.51) RXRAPPARGMAPTALDH1A1CYP1A2
SCHEMBL8432058 0.69 PPARG (0.40) RXRAPPARGMAPTCYP1A2MAPK1

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