SCHEMBL888531

SCHEMBL888531

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
PRKCA P17252 1/20 0.46
RAB9A P51151 2/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
TP53 P04637 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
LMNA P02545 3/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
POLB P06746 1/20 0.39
SCN1A P35498 1/20 0.39

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
SCHEMBL888507 0.85 ALDH1A1 (0.50) ALDH1A1TSHRPRKCARAB9AADRB2
SCHEMBL5085855 0.82 LMNA (0.48) ALDH1A1TSHRTP53LMNASMN1; SMN2
SCHEMBL27536021 0.82 ALDH1A1 (0.46) ALDH1A1TSHRPRKCARAB9AADRB2
SCHEMBL17717443 0.82 TSHR (0.50) ALDH1A1TSHRPRKCARAB9AADRB2
SCHEMBL13622749 0.80 ALDH1A1 (0.59) ALDH1A1TSHRPRKCARAB9AADRB2
SCHEMBL27555497 0.80 MEN1 (0.44) ALDH1A1TSHRPRKCARAB9AADRB2
SCHEMBL27555503 0.79 ALDH1A1 (0.43) ALDH1A1TSHRPRKCARAB9AADRB2
SCHEMBL25982607 0.79 TSHR (0.50) ALDH1A1TSHRPRKCARAB9AADRB2
SCHEMBL571244 0.78 TSHR (0.53) ALDH1A1TSHRPRKCARAB9AADRB2
Benzoic Acid 2-Methylpropyl Ester SCHEMBL20530394 0.78 TSHR (0.69) ALDH1A1TSHRRAB9AADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374821-B1 MANUFACTURING METHOD OF SOLID CATALYST COMPONENT AND OF CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2015-05-06 EP disclosed
EP-1746110-B1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2015-03-11 EP disclosed
US-8546290-B2 Solid catalyst component for olefin polymerization, manufacturing method, and catalyst and olefin polymer manufacturing method TOHO TITANIUM CO., LTD. (JP) 2013-10-01 US disclosed
US-20110269926-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, MANUFACTURING METHOD, AND CATALYST AND OLEFIN POLYMER MANUFACTURING METHOD TOHO TITANIUM CO., LTD. (JP) 2011-11-03 US disclosed
EP-2374821-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, MANUFACTURING METHOD, AND CATALYST AND OLEFIN POLYMER MANUFACTURING METHOD Toho Titanium CO., LTD. (JP) 2011-10-12 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