SCHEMBL5085911

SCHEMBL5085911

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
LMNA P02545 3/20 0.44
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRKCA P17252 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL5082184 0.86 NPC1 (0.51) TSHRALDH1A1RAB9ATP53ADRB2
SCHEMBL5083487 0.85 TSHR (0.49) TSHRALDH1A1RAB9ATP53ADRB2
SCHEMBL5085942 0.84 ALDH1A1 (0.47) TSHRALDH1A1RAB9ATP53ADRB2
SCHEMBL5079860 0.84 TSHR (0.47) TSHRALDH1A1RAB9ATP53ADRB2
SCHEMBL5083523 0.82 ALDH1A1 (0.46) TSHRALDH1A1RAB9ATP53ADRB2
SCHEMBL5083407 0.82 PDCD1 (0.57) TSHRALDH1A1RAB9ATP53ADRB2
SCHEMBL5082920 0.82 TSHR (0.55) TSHRALDH1A1RAB9ATP53ADRB2
SCHEMBL5082172 0.81 KMT2A (0.46) TSHRALDH1A1RAB9ATP53ADRB2
SCHEMBL5082882 0.81 ALDH1A1 (0.45) TSHRALDH1A1RAB9ATP53ADRB2
Benzoic Acid 2-Methylpropyl Ester SCHEMBL298176 0.81 TSHR (0.69) TSHRALDH1A1RAB9AADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1690039-A Diester compound for preparing olefinic polymerization catalyst SINOPEC CORP (CN) 2005-11-02 CN claimed
EP-1746110-B1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2015-03-11 EP disclosed
CN-101759816-B Method for preparing a catalyst component for olefinic polymerization, and a catalyst component thereof CHINA PETROLEUM & CHEMICAL 2012-05-30 CN disclosed
CN-101759816-A Method for preparing a catalyst component for olefinic polymerization, and a catalyst component thereof CHINA PETROLEUM & CHEMICAL 2010-06-30 CN disclosed
CN-100429243-C Method for preparing catalyst constituent for olefinic polymerization CHINA PETROCHEMICAL CO LTD (CN) 2008-10-29 CN disclosed
CN-100429242-C Catalyst components for olefinic polyreaction and catalyst thereof CHINA PETROLEUM & CHEMICAL (CN) 2008-10-29 CN disclosed
US-7351778-B2 Catalyst component for olefin polymerization and catalyst comprising the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-04-01 US disclosed
CN-100348624-C Catalyst components for olefinic polyreaction and catalyst thereof CHINA PETROLEUM & CHEMICAL (CN) 2007-11-14 CN disclosed
EP-1746110-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF China Petroleum & Chemical Corporation (CN) 2007-01-24 EP disclosed
CN-1891722-A Method for preparing catalyst constituent for olefinic polymerization CHINA PETROCHEMICAL CO LTD (CN) 2007-01-10 CN disclosed
CN-1282670-C Catalyst components for olefinic polyreaction and catalyst thereof CHINA PETROLEUM & CHEMICAL (CN) 2006-11-01 CN disclosed
CN-1803862-A Catalyst components for olefinic polyreaction and catalyst thereof CHINA PETROLEUM & CHEMICAL (CN) 2006-07-19 CN disclosed
CN-1803863-A Catalyst components for olefinic polyreaction and catalyst thereof CHINA PETROLEUM & CHEMICAL (CN) 2006-07-19 CN disclosed
CN-1690039-A Diester compound for preparing olefinic polymerization catalyst SINOPEC CORP (CN) 2005-11-02 CN disclosed
CN-1690090-A Catalyst components for olefinic polyreaction and catalyst thereof SINOPEC CORP (CN) 2005-11-02 CN disclosed