SCHEMBL4836779

SCHEMBL4836779

CC(C)c1ccc(P(NP(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
HTT P42858 1/20 0.37
CYP2C9 P11712 2/20 0.36
IDO1 P14902 2/20 0.35
NFKB1 P19838 1/20 0.35
MGLL Q99685 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KIF11 P52732 1/20 0.34
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 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
SCHEMBL3769642 0.76 TYR (0.44) TYRHTTCYP2C9IDO1NFKB1
SCHEMBL104124 0.74 TYR (0.58) TYRHTTCYP2C9IDO1NFKB1
SCHEMBL10714278 0.72 TYR (0.41) TYRHTTCYP2C9IDO1NFKB1
SCHEMBL2153439 0.72 TYR (0.41) TYRHTTCYP2C9IDO1NFKB1
SCHEMBL2153485 0.72 TYR (0.46) TYRHTTCYP2C9IDO1MGLL
SCHEMBL28912214 0.71 TYR (0.55) TYRHTTCYP2C9IDO1NFKB1
Water SCHEMBL11726962 0.71 TYR (0.55) TYRHTTCYP2C9IDO1NFKB1
Water SCHEMBL29278796 0.71 TYR (0.55) TYRHTTCYP2C9IDO1NFKB1
SCHEMBL6203905 0.71 TYR (0.55) TYRHTTCYP2C9IDO1NFKB1
Ammonia Solution, Strong SCHEMBL7550588 0.71 TYR (0.55) TYRHTTCYP2C9IDO1NFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378537-B2 Olefin oligomerization catalysts and methods of using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-05-27 US disclosed
US-20080027188-A1 OLEFIN OLIGOMERIZATION CATALYSTS AND METHODS OF USING SAME CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-01-31 US disclosed