Sugi Predict

Sugi Predict / Compounds / SCHEMBL8648952

SCHEMBL8648952

SCHEMBL8648952

CC(C)(C)OC(=O)Oc1cccc([S+](c2cccc(OC(=O)OC(C)(C)C)c2)c2cccc(OC(=O)OC(C)(C)C)c2)c1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ CYP3A4 P08684 1/20 0.34
▸ KAT6A Q92794 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30

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
SCHEMBL8643877 0.97 ELANE (0.36) ELANECA2CYP3A4KAT6ABCHE
SCHEMBL8325779 0.89 ELANE (0.44) ELANECA2CYP3A4LMNAKDM1A
SCHEMBL8647643 0.86 ELANE (0.44) ELANECA2KDM1A
SCHEMBL8649803 0.85 ELANE (0.48) ELANECA2KDM1A
SCHEMBL8324994 0.85 ELANE (0.41) ELANECA2CYP3A4KAT6ALMNA
SCHEMBL8322215 0.85 ELANE (0.50) ELANECA2CYP3A4LMNAKDM1A
SCHEMBL8651804 0.84 KAT6A (0.33) KAT6A
SCHEMBL8647994 0.83 ELANE (0.37) ELANECA2CYP3A4LMNA
SCHEMBL13131239 0.81 ELANE (0.46) ELANECA2CYP3A4LMNAKDM1A
SCHEMBL8322200 0.81 ELANE (0.46) ELANECA2CYP3A4LMNAKDM1A

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-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 — — US disclosed