SCHEMBL516400

SCHEMBL516400

CCCN(CCC)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.46
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
KCNH2 Q12809 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ACHE P22303 1/20 0.40
CNR2 P34972 5/20 0.40
MAPK1 P28482 2/20 0.39
PSMD14 O00487 1/20 0.39
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.39
ESRRG P62508 1/20 0.38
CRHR1 P34998 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH3A1 P30838 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
SCHEMBL21065737 0.98 CYP2C19 (0.47) CYP2C19ALDH1A1TSHREGFRERBB2
Lithium Ion SCHEMBL19732659 0.98 CYP2C19 (0.47) CYP2C19ALDH1A1TSHREGFRERBB2
SCHEMBL2489238 0.93 CYP2C19 (0.44) CYP2C19ALDH1A1TSHREGFRERBB2
SCHEMBL20013904 0.91 ALDH1A1 (0.46) CYP2C19ALDH1A1TSHRKCNH2TDP1
SCHEMBL7150414 0.89 EGFR (0.47) ALDH1A1TSHREGFRERBB2TDP1
SCHEMBL903672 0.89 CYP2C19 (0.41) CYP2C19ALDH1A1TSHREGFRERBB2
SCHEMBL14174780 0.89 ALDH1A1 (0.43) CYP2C19ALDH1A1TSHREGFRERBB2
SCHEMBL11725644 0.88 HPGD (0.47) CYP2C19ALDH1A1TSHREGFRTDP1
SCHEMBL14289217 0.88 CNR2 (0.49) CYP2C19ALDH1A1KCNH2CNR2L3MBTL1
SCHEMBL627242 0.86 CYP2C19 (0.45) CYP2C19ALDH1A1TSHREGFRERBB2

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 441 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106258649-B Agricultural fumigation method using multilayer film including PVDC vapor barrier 陶氏环球技术有限责任公司 2020-03-13 CN claimed
CN-106258649-A Use the agricultural fumigation of the multilayer film including PVDC vapor barrier 陶氏益农公司 2017-01-04 CN claimed
CN-102970858-B Agricultural fumigation method using multilayer film including PVDC vapor barrier 陶氏益农公司 2016-09-07 CN claimed
US-8440213-B2 Pesticides formulations SIPCAM. S.p.A. (IT) 2013-05-14 US claimed
CN-102970858-A Agricultural fumigation method using multilayer film including PVDC vapor barrier DOW AGROSCIENCES LLC 2013-03-13 CN claimed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 EP claimed
US-8029813-B2 Pesticides formulations SIPCAM S.P.A. (IT) 2011-10-04 US claimed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO claimed
EP-1608220-A1 PESTICIDES FORMULATIONS SIPCAM S.p.A. (IT) 2005-12-28 EP claimed
WO-2004077945-A1 PESTICIDES FORMULATIONS SIPCAM S.P.A. (IT) 2004-09-16 WO claimed
EP-1199332-A2 Aqueous Monomer-Polymer System Röhm GmbH & Co. KG (DE) 2002-04-24 EP claimed
CN-1025141-C Herbicidal compositions containing 5-heterocycle substituted oxazolidine dihaloacetamide antidotes and uses thereof MONSANTO CO (US) 1994-06-29 CN claimed
EP-0145846-B1 POLYHDROXY POLYMER DELIVERY SYSTEM ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1991-06-12 EP claimed
CN-1031375-A The  oxazolidine dihaloacetamides class of 5-heterocyclic substituted MONSANTO CO (US) 1989-03-01 CN claimed
CN-1030001-A Synergistic herbicide compositions and preparation method thereof ICI AMERICA INC (US) 1989-01-04 CN claimed
CN-87104900-A New suspension-type pesticide formulation 1988-01-27 CN claimed
CN-87102879-A Benzhydryl compounds as herbicide antidotes 1987-10-28 CN claimed
EP-0196786-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-10-08 EP claimed
EP-0145846-A2 Polyhdroxy polymer delivery system ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1985-06-26 EP claimed
US-4192820-A Preparation of 3-methyl-2-buten-1-al BASF AKTIENGESELLSCHAFT (DE) 1980-03-11 US claimed