SCHEMBL1785422

SCHEMBL1785422

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 3/20 0.41
TP53 P04637 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1785516 0.89 CYP2D6 (0.43) CYP1A2CYP2D6CYP2C19TSHRTP53
SCHEMBL4839038 0.82 CYP2D6 (0.46) CYP1A2CYP2D6CYP2C19TSHRTP53
SCHEMBL1787854 0.82 CYP2D6 (0.49) CYP1A2CYP2D6CYP2C19TSHRTP53
SCHEMBL1785791 0.81 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C19TSHRTP53
SCHEMBL1784827 0.78 CYP2D6 (0.55) CYP1A2CYP2D6CYP2C19TSHRTP53
SCHEMBL569746 0.76 CYP2D6 (0.51) CYP1A2CYP2D6CYP2C19TSHRTP53
SCHEMBL1783066 0.76 CYP2D6 (0.52) CYP1A2CYP2D6CYP2C19TSHRTP53
SCHEMBL1786440 0.76 CYP2D6 (0.49) CYP1A2CYP2D6CYP2C19TSHRTP53
SCHEMBL1785371 0.76 CYP2D6 (0.49) CYP1A2CYP2D6CYP2C19TSHRTP53
SCHEMBL5085464 0.75 CYP2D6 (0.48) CYP1A2CYP2D6CYP2C19TSHRTP53

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 14 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-3486263-A2 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE W.R. Grace & CO. - CONN. (US) 2019-05-22 EP disclosed
EP-2185600-B1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE GRACE W R & CO (US) 2018-10-31 EP disclosed
US-9796796-B2 Self-limiting catalyst composition with No silane W. R. GRACE & CO.-CONN. (US) 2017-10-24 US disclosed
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-20110124491-A1 Self-Limiting Catalyst Composition with No Silane W. R. GRACE & CO.-CONN. 2011-05-26 US disclosed
EP-2185600-A1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE Dow Global Technologies Inc. (US) 2010-05-19 EP disclosed
WO-2009029447-A1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE DOW GLOBAL TECHNOLOGIES INC. (US) 2009-03-05 WO 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