SCHEMBL5085501

SCHEMBL5085501

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
TDP1 Q9NUW8 5/20 0.52
TSHR P16473 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 1/20 0.52
HIF1A Q16665 2/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.48
F2 P00734 1/20 0.48
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A3 Q01959 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC6A2 P23975 1/20 0.44
HTR1A P08908 1/20 0.44
SCN1A P35498 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN2A Q99250 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
SCHEMBL22854416 0.90 ELANE (0.43) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL28561084 0.87 ALDH1A1 (0.47) CYP2D6CYP2C19CYP1A2TSHRALDH1A1
SCHEMBL263461 0.86 TDP1 (0.58) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL20682155 0.85 PDCD1 (0.47) MAPK1LMNAMAPTL3MBTL1KMT2A
SCHEMBL444728 0.85 CYP2D6 (0.61) CYP2D6CYP2C19CYP1A2TDP1TSHR
Hydrogen Peroxide SCHEMBL28730771 0.85 CYP2D6 (0.61) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL2804706 0.83 CYP2D6 (0.51) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL11637934 0.83 CYP2D6 (0.51) CYP2D6CYP2C19CYP1A2TDP1TSHR
Water SCHEMBL5946543 0.83 CYP2D6 (0.59) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL726575 0.83 CYP2D6 (0.51) CYP2D6CYP2C19CYP1A2TDP1TSHR

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