SCHEMBL7943878

SCHEMBL7943878

CC(C)COC(=O)c1cccc(Cl)c1.O=C(O)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.51
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
GPR139 Q6DWJ6 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 2/20 0.42
ABCB1 P08183 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6057293 0.87 CHRM2 (0.55) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL7946640 0.86 ALDH1A1 (0.55) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL7946893 0.84 ALDH1A1 (0.68) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL7946901 0.84 LMNA (0.56) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL7937594 0.82 TDP1 (0.55) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL7945280 0.80 TSHR (0.54) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL11563518 0.78 ALDH1A1 (0.66) ALDH1A1TSHRMEN1KMT2AABCB1
SCHEMBL6057230 0.78 ALDH1A1 (0.77) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL1786925 0.78 CHRM2 (0.51) ALDH1A1ADRB2ADRB1ADRB3CHRM2
SCHEMBL10455395 0.77 ALDH1A1 (0.54) ALDH1A1TSHRADRB2ADRB1ADRB3

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