SCHEMBL4840736

SCHEMBL4840736

COc1cccc(P(NP(c2cccc(OC)c2)c2cccc(OC)c2)c2cccc(OC)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
CYP3A4 P08684 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ENPP2 Q13822 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
POLB P06746 1/20 0.42
CHRM5 P08912 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL29635198 0.80 ACHE (0.54) ACHECYP3A4CA1CA2CA7
SCHEMBL197286 0.80 ACHE (0.54) ACHECYP3A4CA1CA2CA7
SCHEMBL4841358 0.79 RXRA (0.41) CA2ALDH1A1MEN1KMT2ANPC1
SCHEMBL4837677 0.79 KIF11 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL4839953 0.79 TP53 (0.52) CYP3A4ALDH1A1KMT2AMAPTMAPK1
SCHEMBL9420847 0.78 ACHE (0.52) ACHECYP3A4CA1CA2CA7
SCHEMBL31189339 0.78 ACHE (0.52) ACHECYP3A4CA1CA2CA7
SCHEMBL2155304 0.78 ACHE (0.52) ACHECYP3A4CA1CA2CA7
Phosphine SCHEMBL6466867 0.78 ACHE (0.52) ACHECYP3A4CA1CA2CA7
Hydrochloric Acid SCHEMBL5427158 0.78 ACHE (0.52) ACHECYP3A4CA1CA2CA7

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