SCHEMBL4450026

SCHEMBL4450026

COc1cccc(C(O)(c2cccc(OC)c2)C(N)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.51
KIF11 P52732 1/20 0.47
CASR P41180 2/20 0.44
AOC3 Q16853 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALPL P05186 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
OPRM1 P35372 1/20 0.40

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
SCHEMBL4450023 1.00 KCNA5 (0.51) KCNA5KIF11CASRAOC3L3MBTL1
SCHEMBL808988 0.85 CYP1A2 (0.45) KIF11AOC3TAAR1MTNR1AMTNR1B
SCHEMBL808989 0.85 CYP1A2 (0.45) KIF11AOC3TAAR1MTNR1AMTNR1B
SCHEMBL1153251 0.82 KCNA5 (0.51) KCNA5KIF11MEN1HTTKMT2A
SCHEMBL1153248 0.82 KCNA5 (0.51) KCNA5KIF11MEN1HTTKMT2A
SCHEMBL7107495 0.82 TAAR1 (0.49) KIF11AOC3TAAR1MEN1LMNA
SCHEMBL7674694 0.82 TAAR1 (0.49) KIF11AOC3TAAR1MEN1LMNA
SCHEMBL4449902 0.81 KCNA5 (0.54) KCNA5KIF11L3MBTL1LMNAHTT
SCHEMBL4449894 0.81 KCNA5 (0.54) KCNA5KIF11L3MBTL1LMNAHTT
SCHEMBL808769 0.80 KMT2A (0.41) KIF11AOC3MTNR1AMTNR1BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895992-B1 Copper complexes of optically active bisoxazolines as enantioselective catalysts in cyclopropanation reactions SUMITOMO CHEMICAL CO (JP) 2009-06-10 EP disclosed
EP-0942010-B1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymer SUMITOMO CHEMICAL CO (JP) 2003-06-18 EP disclosed
US-6500909-B2 CONTAINING NICKEL, PALLADIUM, RHODIUM, RUTHENIUM, OR COBALT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
US-6410741-B1 INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-20010027162-A1 Transition metal compound, catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefinic polymer HIRAHATA WATARU (JP) 2001-10-04 US disclosed
US-6242377-B1 POLYMERIZATION IN PRESENCE OF BISOXAZOLINE WITH NICKEL, COBALT, PALLADIUM, RHODIUM, RUTHENIUM, ALUMINUM AND BORON COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed
EP-0942010-A1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-15 EP disclosed