SCHEMBL4701222

SCHEMBL4701222

Cc1cc(=O)cc(Cc2ccccc2)o1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 2/20 0.48
ALDH1A1 P00352 1/20 0.45
IDH1 O75874 1/20 0.42
GPR55 Q9Y2T6 7/20 0.42
CNR2 P34972 3/20 0.42
PTGS2 P35354 1/20 0.42
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HSD17B3 P37058 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ERAP1 Q9NZ08 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
SCHEMBL31265985 0.87 IDH1 (0.49) IDH1GPR55CNR2CYP11B1CYP11B2
SCHEMBL11857671 0.75 MAPT (0.53) IDH1GPR55CNR2PKML3MBTL1
SCHEMBL3180066 0.75 CHRM2 (0.47) ALDH1A1PKML3MBTL1
SCHEMBL4699339 0.75 ALDH1A1 (0.42) NQO1ALDH1A1IDH1GPR55CNR2
SCHEMBL4699338 0.75 ALDH1A1 (0.42) NQO1ALDH1A1IDH1GPR55CNR2
Water SCHEMBL9667780 0.73 CHRM2 (0.45) ALDH1A1PKML3MBTL1KDM4E
SCHEMBL1176772 0.72 NQO1 (0.61) NQO1ALDH1A1KDM4EGLA
SCHEMBL6736850 0.72 CALM1 (0.42) NQO1ALDH1A1IDH1GPR55CNR2
SCHEMBL2468840 0.71 IDH1 (0.54) NQO1ALDH1A1IDH1GPR55CNR2
SCHEMBL9625655 0.71 NQO1 (0.58) NQO1ALDH1A1L3MBTL1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486489-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2016-04-27 EP disclosed
EP-1516874-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
EP-1204643-B1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2008-06-04 EP disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-7034035-B2 Fungicidal mono-, bi-, and tri-cycloheteroalkyl amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2006-04-25 US disclosed
US-6927225-B2 Fungicidal 2-pyridyl alkyl amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2005-08-09 US disclosed
EP-1516875-A1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2005-03-23 EP disclosed
EP-1516874-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2005-03-23 EP disclosed
EP-1493733-A2 Fungicidal heterocyclic aromatic amides, their compositions and methods of use Dow AgroSciences LLC (US) 2005-01-05 EP disclosed
EP-1486489-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2004-12-15 EP disclosed
EP-1234825-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234826-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234824-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234823-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234827-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1204643-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2002-05-15 EP disclosed
EP-1196388-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2002-04-17 EP disclosed
US-6355660-B1 HETEROCYCLIC FUNGICIDES SUBSTITUTED WITH AMIDE GROUPS DOW AGROSCIENCES LLC 2002-03-12 US disclosed
WO-2001014339-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-03-01 WO disclosed
WO-2001005769-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-01-25 WO disclosed