SCHEMBL8038356

SCHEMBL8038356

CC(C)C[Al](Oc1ccccc1C(C)(C)C)Oc1ccccc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
TDP1 Q9NUW8 4/20 0.36
ATM Q13315 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
RBP4 P02753 2/20 0.36
NPSR1 Q6W5P4 3/20 0.35
HTT P42858 2/20 0.35
NAMPT P43490 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 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
SCHEMBL7615357 0.85 CA2 (0.32) MAPTCYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL79258 0.81 CA2 (0.36) ALDH1A1KDM4ETDP1TSHRSMN1; SMN2
SCHEMBL10891555 0.80 CYP1A2 (0.41) MAPTCYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL3326157 0.79 ATM (0.40) MAPTCYP1A2CYP2C19HSD17B10ALDH1A1
SCHEMBL14645615 0.73 MAPT (0.56) MAPTCYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL10264566 0.70 CYP1A2 (0.54) MAPTCYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL585168 0.70 CA2 (0.36) ALDH1A1KDM4ETDP1TSHRSMN1; SMN2
SCHEMBL7815374 0.70 IRAK4 (0.44) MAPTCYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL78216 0.69 SMN1; SMN2 (0.38) CYP2D6CYP2C19HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL127278 0.68 ALDH1A1 (0.48) MAPTCYP1A2CYP2D6CYP2C19HSD17B10

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-6031145-A A CATALYTIC COMPOSITION MIXTURE COMPRISING ONE CHROMIUM COMPOUND, ONE ARYLOXY ALUMINUM COMPOUND AND ONE HYDROCARBYL ALUMINUM COMPOUND FOR DIMERIZATION, TRIMERIZATION INSTITUT FRANCAIS DU PETROLE (FR) 2000-02-29 US disclosed