SCHEMBL18113124

SCHEMBL18113124

CCOC(=O)Cc1ccccc1SC(=O)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NLRP3 Q96P20 1/20 0.38
▸ PPID Q08752 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL18113162 0.87 ACHE (0.52) ACHEPKMCYP4F2CYP4A11L3MBTL1
SCHEMBL18113062 0.87 MAPT (0.42) ACHEMAPTPKMMAPK1CYP4F2
SCHEMBL19895786 0.85 ACHE (0.47) ACHEPKMCYP4F2CYP4A11L3MBTL1
SCHEMBL18113209 0.82 ACHE (0.54) ACHEPKMCYP4F2CYP4A11L3MBTL1
SCHEMBL18113138 0.81 NPC1 (0.46) ACHEMAPTPKMCYP4F2CYP4A11
SCHEMBL18113112 0.79 PKM (0.46) ACHEPKMCYP4F2CYP4A11L3MBTL1
SCHEMBL22092402 0.78 PKM (0.43) ACHEMAPTPKMCYP4F2CYP4A11
SCHEMBL19895798 0.78 PKM (0.45) ACHEMAPTPKMCYP4F2CYP4A11
SCHEMBL165223 0.77 PKM (0.49) PKMCYP4F2CYP4A11L3MBTL1SMN1; SMN2
SCHEMBL18113206 0.77 ALDH1A1 (0.48) ACHEPKMCYP4F2CYP4A11L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277736-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2019-03-27 — — EP disclosed
US-10011668-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-07-03 — — US disclosed
US-20180057622-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-03-01 — — US disclosed
EP-3277736-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2018-02-07 — — EP disclosed
WO-2016156473-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2016-10-06 — — WO disclosed
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