SCHEMBL5085380

SCHEMBL5085380

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 3/20 0.40
HTR1A P08908 1/20 0.40
SCN1A P35498 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1784948 0.89 CYP2D6 (0.52) CYP2D6CYP1A2CYP2C19LMNATDP1
SCHEMBL1786798 0.86 CYP2D6 (0.47) CYP2D6CYP1A2CYP2C19LMNATDP1
SCHEMBL1788704 0.82 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19LMNATDP1
SCHEMBL1785699 0.81 CYP2D6 (0.56) CYP2D6CYP1A2CYP2C19LMNATDP1
SCHEMBL1785696 0.80 CYP2D6 (0.51) CYP2D6CYP1A2CYP2C19LMNATDP1
SCHEMBL4835893 0.78 CYP2D6 (0.52) CYP2D6CYP1A2CYP2C19LMNATDP1
SCHEMBL4839336 0.77 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19LMNATDP1
SCHEMBL1785119 0.77 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19LMNATDP1
SCHEMBL1784834 0.76 CYP2D6 (0.47) CYP2D6CYP1A2CYP2C19LMNATDP1
SCHEMBL1784682 0.75 CYP2D6 (0.49) CYP2D6CYP1A2CYP2C19LMNATDP1

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-1666505-B1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2016-03-23 EP 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-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