SCHEMBL8322360

SCHEMBL8322360

CN(C)c1ccc([S+](c2cccc(OC(=O)OC(C)(C)C)c2)c2cccc(OC(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
BCHE P06276 2/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
THRB P10828 1/20 0.36
GFER P55789 1/20 0.36
CYP3A4 P08684 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CA2 P00918 1/20 0.34
LMNA P02545 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
FAAH O00519 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
SCHEMBL8320026 1.00 ELANE (0.40) ELANEBCHEACHEALDH1A1MAPT
SCHEMBL8325529 0.94 ELANE (0.36) ELANEBCHEACHEALDH1A1MAPT
SCHEMBL8321674 0.94 ELANE (0.36) ELANEBCHEACHEALDH1A1MAPT
SCHEMBL8322215 0.88 ELANE (0.50) ELANEACHEMEN1KMT2ACYP3A4
SCHEMBL8649502 0.87 GRM2 (0.33) ELANEBCHEACHECYP3A4CA2
SCHEMBL13131239 0.87 ELANE (0.46) ELANEBCHEACHEALDH1A1MAPT
SCHEMBL8322200 0.87 ELANE (0.46) ELANEBCHEACHEALDH1A1MAPT
SCHEMBL8322957 0.87 ELANE (0.54) ELANEALDH1A1MAPTMEN1KMT2A
SCHEMBL8323431 0.87 ELANE (0.54) ELANEALDH1A1MAPTMEN1KMT2A
SCHEMBL8319103 0.82 MAPT (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed