SCHEMBL18113209

SCHEMBL18113209

CCCOC(=O)Sc1ccccc1CC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.54
▸ PKM P14618 1/20 0.44
▸ CYP4F2 P78329 2/20 0.41
▸ CYP4A11 Q02928 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ TBXAS1 P24557 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RECQL P46063 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 0.91 ACHE (0.52) ACHEPKMCYP4F2CYP4A11ALDH1A1
SCHEMBL19895786 0.86 ACHE (0.47) ACHEPKMCYP4F2CYP4A11ALDH1A1
SCHEMBL18113124 0.82 ACHE (0.44) ACHEPKMCYP4F2CYP4A11LMNA
SCHEMBL28362383 0.82 PKM (0.53) PKMCYP4F2CYP4A11ALDH1A1TBXAS1
SCHEMBL18113112 0.80 PKM (0.46) ACHEPKMCYP4F2CYP4A11ALDH1A1
SCHEMBL18113138 0.79 NPC1 (0.46) ACHEPKMCYP4F2CYP4A11ALDH1A1
SCHEMBL19895798 0.79 PKM (0.45) ACHEPKMCYP4F2CYP4A11ALDH1A1
SCHEMBL165223 0.78 PKM (0.49) PKMCYP4F2CYP4A11ALDH1A1TBXAS1
SCHEMBL18113206 0.78 ALDH1A1 (0.48) ACHEPKMCYP4F2CYP4A11ALDH1A1
SCHEMBL18113182 0.77 ALDH1A1 (0.58) ACHEALDH1A1LMNASMN1; SMN2L3MBTL1

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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