SCHEMBL8322200

SCHEMBL8322200

CC(C)(C)OC(=O)Oc1cccc([S+](c2ccccc2)c2cccc(OC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.46
CYP3A4 P08684 1/20 0.41
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
KDM1A O60341 1/20 0.36
ACHE P22303 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
SLC7A5 Q01650 1/20 0.34
BCHE P06276 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13131239 1.00 ELANE (0.46) ELANECYP3A4CA2LMNAKDM1A
SCHEMBL8322215 0.95 ELANE (0.50) ELANECYP3A4CA2LMNAKDM1A
SCHEMBL8324994 0.93 ELANE (0.41) ELANECYP3A4CA2LMNAKDM1A
SCHEMBL8325779 0.89 ELANE (0.44) ELANECYP3A4CA2LMNAKDM1A
SCHEMBL8322360 0.87 ELANE (0.40) ELANECYP3A4CA2LMNAKDM1A
SCHEMBL8320026 0.87 ELANE (0.40) ELANECYP3A4CA2LMNAKDM1A
SCHEMBL8322043 0.86 ELANE (0.58) ELANECA2KDM1AMEN1KMT2A
SCHEMBL795385 0.86 ELANE (0.58) ELANECA2KDM1AMEN1KMT2A
SCHEMBL8643877 0.86 ELANE (0.36) ELANECYP3A4CA2ACHEBCHE
SCHEMBL8648378 0.85 CYP3A4 (0.36) ELANECYP3A4CA2LMNAACHE

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