SCHEMBL4837206

SCHEMBL4837206

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C19 P33261 2/20 0.66
MAPK1 P28482 1/20 0.59
HIF1A Q16665 1/20 0.59
TDP1 Q9NUW8 4/20 0.56
SLC6A3 Q01959 2/20 0.56
HTR1A P08908 1/20 0.56
SCN1A P35498 1/20 0.56
SCN5A Q14524 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN3A Q9NY46 1/20 0.56
LMNA P02545 1/20 0.53
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 3/20 0.46
SLC6A2 P23975 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46

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
SCHEMBL13514895 0.88 CYP2D6 (0.76) CYP2D6CYP1A2CYP2C19MAPK1HIF1A
SCHEMBL1783308 0.85 CYP2D6 (0.71) CYP2D6CYP1A2CYP2C19MAPK1HIF1A
SCHEMBL30972171 0.84 CYP2D6 (0.62) CYP2D6CYP1A2CYP2C19MAPK1HIF1A
SCHEMBL28684600 0.83 CYP2D6 (0.69) CYP2D6CYP1A2CYP2C19MAPK1HIF1A
SCHEMBL13475638 0.82 MAPK1 (0.61) CYP2D6CYP1A2CYP2C19MAPK1HIF1A
SCHEMBL12675496 0.82 CYP1A2 (0.46) CYP2D6CYP1A2CYP2C19MAPK1HIF1A
SCHEMBL570797 0.81 MAPK1 (0.65) CYP2D6CYP1A2CYP2C19MAPK1HIF1A
SCHEMBL1785409 0.81 MAPK1 (0.65) CYP2D6CYP1A2CYP2C19MAPK1HIF1A
SCHEMBL8165584 0.81 MAPK1 (0.56) CYP2D6CYP1A2CYP2C19MAPK1HIF1A
SCHEMBL235921 0.81 MAPK1 (0.81) CYP2D6CYP1A2CYP2C19MAPK1HIF1A

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
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US claimed
EP-1666505-B1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2016-03-23 EP disclosed
US-20130109789-A1 OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING OLEFIN POLYMER, POLYPROPYLENE RESIN COMPOSITION AND ARTICLE COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 US disclosed
US-7388061-B2 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US disclosed
US-7332455-B2 Catalyst component and catalyst for olefin polymerization as well as use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-02-19 US disclosed
EP-1666505-A1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF China Petroleum & Chemical Corporation (CN) 2006-06-07 EP disclosed
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US disclosed
US-20050119427-A1 Catalyst component and catalyst for olefin polymerization as well as use thereof BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-06-02 US disclosed