SCHEMBL5086238

SCHEMBL5086238

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL5941226 1.00 TSHR (0.49) TSHRKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5079977 0.88 LMNA (0.47) TSHRKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5082830 0.88 PDCD1 (0.51) TSHRLMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL5082829 0.88 NPC1 (0.49) TSHRKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5082847 0.87 TSHR (0.47) TSHRKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5083351 0.86 KMT2A (0.45) TSHRKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5079875 0.86 TSHR (0.53) TSHRLMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL5085942 0.85 ALDH1A1 (0.47) TSHRKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5082867 0.85 KMT2A (0.61) TSHRKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5082117 0.84 CYP2D6 (0.45) TSHRKMT2ALMNASMN1; SMN2ALDH1A1

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