SCHEMBL5082175

SCHEMBL5082175

CCC(OC(=O)c1ccccc1)C(CC(C)C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
PRKCA P17252 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL5079895 0.89 KMT2A (0.44) TSHRKMT2ALMNASMN1; SMN2NPC1
SCHEMBL5941280 0.87 TSHR (0.47) TSHRKMT2ALMNASMN1; SMN2NPC1
SCHEMBL5082847 0.85 TSHR (0.47) TSHRKMT2ALMNASMN1; SMN2NPC1
SCHEMBL5941226 0.80 TSHR (0.49) TSHRKMT2ALMNASMN1; SMN2NPC1
SCHEMBL5086238 0.80 TSHR (0.49) TSHRKMT2ALMNASMN1; SMN2NPC1
SCHEMBL14690196 0.79 TSHR (0.53) TSHRKMT2ALMNASMN1; SMN2NPC1
SCHEMBL1786485 0.79 TSHR (0.53) TSHRKMT2ALMNASMN1; SMN2NPC1
SCHEMBL5083331 0.79 LMNA (0.43) TSHRKMT2ALMNASMN1; SMN2NPC1
SCHEMBL12863873 0.78 TSHR (0.52) TSHRKMT2ALMNASMN1; SMN2NPC1
SCHEMBL5085898 0.77 NPC1 (0.49) TSHRKMT2ALMNASMN1; SMN2NPC1

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
EP-1746110-B1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2015-03-11 EP disclosed
US-7351778-B2 Catalyst component for olefin polymerization and catalyst comprising the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-04-01 US disclosed
EP-1746110-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF China Petroleum & Chemical Corporation (CN) 2007-01-24 EP disclosed
US-20060287446-A1 Catalyst component for olefin polymerization and catalyst comprising the same BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CHINA PETROLEUM & CHEMICAL COPORATION (CN) 2006-12-21 US disclosed