SCHEMBL7105367

SCHEMBL7105367

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
KIF11 P52732 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT1 P42224 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
AOC3 Q16853 2/20 0.40
PARP1 P09874 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 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
SCHEMBL7674574 1.00 TAAR1 (0.42) TAAR1ALDH1A1CYP3A4KIF11NPC1
SCHEMBL7105620 0.84 TAAR1 (0.46) TAAR1ALDH1A1CYP3A4KIF11NPC1
SCHEMBL7680209 0.84 TAAR1 (0.46) TAAR1ALDH1A1CYP3A4KIF11NPC1
SCHEMBL7107495 0.83 TAAR1 (0.49) TAAR1ALDH1A1CYP3A4KIF11NPC1
SCHEMBL7674694 0.83 TAAR1 (0.49) TAAR1ALDH1A1CYP3A4KIF11NPC1
SCHEMBL2534644 0.81 ACHE (0.48) TAAR1ALDH1A1CYP3A4KIF11NPC1
SCHEMBL1152858 0.80 AOC3 (0.47) ALDH1A1CYP3A4KIF11LMNAMAPT
SCHEMBL1152852 0.80 AOC3 (0.47) ALDH1A1CYP3A4KIF11LMNAMAPT
SCHEMBL4450023 0.79 KCNA5 (0.51) TAAR1ALDH1A1CYP3A4KIF11NPC1
SCHEMBL4450026 0.79 KCNA5 (0.51) TAAR1ALDH1A1CYP3A4KIF11NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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