SCHEMBL5080666

SCHEMBL5080666

CCCCOC(=O)c1ccsc1C(=O)OCCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
TDP1 Q9NUW8 2/20 0.60
MAPK1 P28482 4/20 0.54
CYP3A4 P08684 3/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 6/20 0.53
LMNA P02545 3/20 0.53
HSD17B10 Q99714 2/20 0.53
ESR1 P03372 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C9 P11712 1/20 0.47
PDE4D Q08499 1/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL2996635 0.91 TSHR (0.53) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL28807508 0.85 TSHR (0.55) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL28197556 0.85 ALDH1A1 (0.59) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL5278956 0.84 ALDH1A1 (0.60) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL165805 0.84 TSHR (0.60) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL27356357 0.84 TSHR (0.60) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL5078857 0.83 TSHR (0.55) TSHRL3MBTL1CYP3A4TP53ALDH1A1
SCHEMBL10942252 0.83 ESR1 (0.51) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL15854184 0.83 TSHR (0.58) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL16173995 0.79 ALDH1A1 (0.49) TSHRL3MBTL1TDP1MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1871266-B Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE SPA 2012-05-09 CN disclosed
US-7371802-B2 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2008-05-13 US disclosed
US-20070106039-A1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2007-05-10 US disclosed
CN-1871266-A Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE SPA (IT) 2006-11-29 CN disclosed
EP-1678218-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2006-07-12 EP disclosed
WO-2005047351-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2005-05-26 WO disclosed
US-5075396-A Coordination catalyst comprising magnesium, titanium, halogen, aluminum, an organosilicon compound and a heterocyclic diester as electron donor; durability; stereospecific MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-12-24 US disclosed
US-5075396-A Coordination catalyst comprising magnesium, titanium, halogen, aluminum, an organosilicon compound and a heterocyclic diester as electron donor; durability; stereospecific MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-12-24 US disclosed
EP-0115195-B1 CATALYST COMPOSITION FOR USE IN THE POLYMERIZATION OF OLEFINS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-09-26 EP disclosed
US-4841003-A CCODINATION CATALYST CONTAINING MAGNESIUM, TITANIUM, HALOGEN, LEWIS BASE AND ORGANOALUMINUM COMPOUNDS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-20 US disclosed
US-4725656-A COORDINATION CATALYST COMPRISING MAGNESIUM TITANIUM, ALUMINUM, ORGANO SILICON COMPOUNDS, AND POLYESTERS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-02-16 US disclosed
EP-0115195-A1 Catalyst composition for use in the polymerization of olefins MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-08-08 EP disclosed