SCHEMBL4449902

SCHEMBL4449902

Cc1cccc(C(O)(c2cccc(C)c2)C(N)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.54
KIF11 P52732 5/20 0.47
ACP3 P15309 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.43
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
TACR1 P25103 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4449894 1.00 KCNA5 (0.54) KCNA5KIF11ACP3CYP3A4CYP2D6
SCHEMBL809210 0.83 UGT2B7 (0.42) KCNA5KIF11CYP3A4CYP2D6KCNH2
SCHEMBL809211 0.83 UGT2B7 (0.42) KCNA5KIF11CYP3A4CYP2D6KCNH2
SCHEMBL1143218 0.82 KCNA5 (0.68) KCNA5CYP2D6CYP2C19LMNAKDM4E
SCHEMBL1143220 0.82 KCNA5 (0.68) KCNA5CYP2D6CYP2C19LMNAKDM4E
SCHEMBL1152870 0.82 KCNA5 (0.68) KCNA5CYP2D6CYP2C19LMNAKDM4E
SCHEMBL28813446 0.81 KIF11 (0.48) KIF11ACP3CYP3A4CYP2D6CYP2C9
SCHEMBL1153036 0.81 KCNA5 (0.54) KCNA5KIF11LMNAKDM4EMAPK1
SCHEMBL1153033 0.81 KCNA5 (0.54) KCNA5KIF11LMNAKDM4EMAPK1
SCHEMBL4450026 0.81 KCNA5 (0.51) KCNA5KIF11CYP3A4OPRM1OPRD1

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