SCHEMBL7945280

SCHEMBL7945280

CCCCCCCCOC(=O)c1cccc(Cl)c1.O=C(O)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PPARA Q07869 1/20 0.53
GPR35 Q9HC97 1/20 0.53
TP53 P04637 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
BCHE P06276 2/20 0.48
CNR2 P34972 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTPN11 Q06124 1/20 0.46

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
SCHEMBL7946901 0.91 LMNA (0.56) ALDH1A1LMNAMEN1KMT2APPARA
SCHEMBL28437780 0.88 LMNA (0.58) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL30692290 0.88 LMNA (0.58) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL6057231 0.88 LMNA (0.58) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL28807886 0.88 LMNA (0.58) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL7946641 0.87 ALDH1A1 (0.58) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL6057136 0.87 LMNA (0.56) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL7937585 0.85 ALDH1A1 (0.70) TSHRALDH1A1LMNATP53CYP3A4
Hydrogen Peroxide SCHEMBL27761851 0.84 ESR1 (0.57) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL198523 0.83 ESR1 (0.59) TSHRALDH1A1LMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001051527-A1 PROCATALYSTS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051526-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051529-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051528-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed