SCHEMBL18113078

SCHEMBL18113078

CCOC(=O)C(C)c1ccccc1SC(=O)N(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TSHR P16473 4/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL31620825 0.80 ALDH1A1 (0.45) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL18113265 0.77 TSHR (0.59) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL363983 0.74 TSHR (0.48) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL18113206 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL19895595 0.74 HSD17B10 (0.51) HSD17B10KMT2AMEN1NPC1TSHR
SCHEMBL28008252 0.73 NLRP3 (0.50) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL11382549 0.72 TSHR (0.65) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL11873905 0.71 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL28008699 0.71 TSHR (0.46) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL31074064 0.71 TSHR (0.53) ALDH1A1HPGDKMT2AMEN1NPC1

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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