SCHEMBL4836624

SCHEMBL4836624

CC(C)(O)C(C)(C)O.CC(OC(=O)c1cccc(Cl)c1)C(C)(C)OC(=O)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.46
SLC6A3 Q01959 4/20 0.46
CHRNA1 P02708 2/20 0.46
CHRNG P07510 2/20 0.46
CHRNB1 P11230 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
SLC6A4 P31645 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRND Q07001 2/20 0.46
ITGA5 P08648 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH1 P35367 1/20 0.46
CHRNA7 P36544 1/20 0.46
OPRK1 P41145 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 2/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1784734 0.96 SLC6A2 (0.49) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL1785260 0.80 PARP1 (0.52) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL1788323 0.78 TSHR (0.50) CYP2C19ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL4831369 0.77 SLC6A2 (0.49) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL30692281 0.77 SMN1; SMN2 (0.56) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL28714346 0.77 PARP1 (0.52) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL1785192 0.77 PARP1 (0.52) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL6057405 0.77 SMN1; SMN2 (0.56) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL14335514 0.76 HPGD (0.49) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL14335619 0.76 HPGD (0.43) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US claimed
US-7388061-B2 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US disclosed
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US disclosed