SCHEMBL18113206

SCHEMBL18113206

CCOC(=O)Cc1ccccc1SC(=O)N(CC)CC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ PKM P14618 1/20 0.44
▸ CYP4F2 P78329 2/20 0.41
▸ CYP4A11 Q02928 2/20 0.41
▸ TBXAS1 P24557 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ACHE P22303 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 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
SCHEMBL19895798 0.87 PKM (0.45) ALDH1A1HSD17B10HPGDPKMCYP4F2
SCHEMBL19895783 0.86 PKM (0.42) ALDH1A1HSD17B10HPGDPKMCYP4F2
SCHEMBL18113162 0.82 ACHE (0.52) ALDH1A1HSD17B10HPGDPKMCYP4F2
SCHEMBL11873905 0.82 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDSMN1; SMN2ACHE
SCHEMBL19895786 0.80 ACHE (0.47) ALDH1A1HSD17B10HPGDPKMCYP4F2
SCHEMBL18113112 0.80 PKM (0.46) ALDH1A1HSD17B10HPGDPKMCYP4F2
SCHEMBL18113138 0.79 NPC1 (0.46) ALDH1A1PKMCYP4F2CYP4A11SMN1; SMN2
SCHEMBL18113265 0.78 TSHR (0.59) ALDH1A1HSD17B10HPGDTSHRCYP1A2
SCHEMBL165223 0.78 PKM (0.49) ALDH1A1HSD17B10HPGDPKMCYP4F2
SCHEMBL18113209 0.78 ACHE (0.54) ALDH1A1HSD17B10HPGDPKMCYP4F2

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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