SCHEMBL7101887

SCHEMBL7101887

CC(C)CC(N)C(O)(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
ANPEP P15144 5/20 0.39
SLC7A5 Q01650 1/20 0.37
LAP3 P28838 2/20 0.36
ERAP1 Q9NZ08 2/20 0.36
ERAP2 Q6P179 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7683081 1.00 ALDH1A1 (0.45) ALDH1A1CYP2C19TSHRMAPK1ANPEP
SCHEMBL1153769 0.76 TSHR (0.43) ALDH1A1TSHRMAPK1ANPEPSLC7A5
SCHEMBL89773 0.76 TSHR (0.43) ALDH1A1TSHRMAPK1ANPEPSLC7A5
SCHEMBL89791 0.76 TSHR (0.43) ALDH1A1TSHRMAPK1ANPEPSLC7A5
Hydrochloric Acid SCHEMBL22749249 0.74 TSHR (0.41) ALDH1A1TSHRMAPK1ANPEPSLC7A5
Hydrochloric Acid SCHEMBL22749248 0.74 TSHR (0.41) ALDH1A1TSHRMAPK1ANPEPSLC7A5
SCHEMBL3591461 0.72 SLC7A5 (0.41) ALDH1A1TSHRMAPK1ANPEPSLC7A5
SCHEMBL1153659 0.72 SLC7A5 (0.41) ALDH1A1TSHRMAPK1ANPEPSLC7A5
SCHEMBL9159211 0.72 TSHR (0.39) ALDH1A1TSHRMAPK1ANPEPSLC7A5
SCHEMBL1153657 0.72 SLC7A5 (0.41) ALDH1A1TSHRMAPK1ANPEPSLC7A5

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