SCHEMBL1406152

SCHEMBL1406152

Cn1cc(OC(=O)O)c(C(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 2/20 0.37
NPC1 O15118 2/20 0.37
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.32
STING1 Q86WV6 1/20 0.32
TEAD1 P28347 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32

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
SCHEMBL5274768 0.89 GAA (0.42) GAALMNAPOLBPKMNPC1
SCHEMBL2903445 0.87 GAA (0.41) GAALMNAPOLBPKMNPC1
SCHEMBL27596801 0.87 GAA (0.49) GAALMNAPOLBPKMNPC1
SCHEMBL3730626 0.85 GAA (0.48) GAALMNAPOLBPKMNPC1
SCHEMBL3787937 0.85 GAA (0.48) GAALMNAPOLBPKMNPC1
SCHEMBL27615388 0.83 GAA (0.49) GAALMNAPOLBCYP2C19CYP3A4
SCHEMBL7555630 0.81 GAA (0.48) GAALMNAPOLBALDH1A1
SCHEMBL2902981 0.80 L3MBTL1 (0.40) GAALMNAPKMNPC1HTT
SCHEMBL3150975 0.79 NPC1 (0.56) GAALMNAPOLBNPC1CYP2C19
SCHEMBL2901127 0.79 RAB9A (0.40) GAALMNAPOLBNPC1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001299-A2 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2008-12-17 EP claimed
WO-2007110173-A2 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-10-04 WO claimed
EP-1813152-A1 Fungicidal mixture based on 3,4-disubstituted biphenylanilides BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP claimed
EP-3325467-A1 SUBSTITUTED HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-30 EP disclosed
WO-2017012965-A1 SUBSTITUTED HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-26 WO disclosed
EP-2850066-B1 METHOD FOR PRODUCING 1-ALKYL-3-FLUORALKYL-1H-PYRAZOL-CARBOXYLIC ACID CHLORIDES BAYER CROPSCIENCE AG (DE) 2016-03-16 EP disclosed
EP-1856055-B1 PYRAZOLE CARBOXYLIC ACID ANILIDES, METHOD FOR THE PRODUCTION THEREOF AND AGENTS CONTAINING THEM FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2014-10-01 EP disclosed
EP-1458670-B1 METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES SALTIGO GMBH (DE) 2011-03-09 EP disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP disclosed
EP-2027095-A1 HETEROAROYL-SUBSTITUTED ALANINES WITH A HERBICIDAL ACTION BASF SE (DE) 2009-02-25 EP disclosed
EP-2001299-A2 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2008-12-17 EP disclosed
WO-2007104437-A1 FUNGICIDAL ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-09-20 WO disclosed
EP-1813152-A1 Fungicidal mixture based on 3,4-disubstituted biphenylanilides BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP disclosed
WO-2007071656-A1 METHOD FOR CONTROLLING RUSTING IN LEGUMINOUS PLANTS BASF AKTIENGESELLSCHAFT (DE) 2007-06-28 WO disclosed
WO-2007068376-A1 BIPHENYL CARBOXAMIDES FOR CONTROLLING MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2007-06-21 WO disclosed
EP-1716120-A1 HERBICIDAL HETEROAROYL-SUBSTITUTED PHENYLALANINE AMIDES BASF AKTIENGESELLSCHAFT (DE) 2006-11-02 EP disclosed
WO-2006092213-A1 PYRAZOLYLCARBOXANILIDES BAYER CROPSCIENCE AG (DE) 2006-09-08 WO disclosed
WO-2005061464-A1 HERBICIDAL HETEROAROYL-SUBSTITUTED PHENYLALANINE AMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-07-07 WO disclosed
EP-0589301-B1 Carboxynilides derivatives, process for their preparation and fungicidal compositions containing them BASF AG (DE) 2002-06-26 EP disclosed
EP-0589301-A1 Carboxynilides derivatives, process for their preparation and fungicidal compositions containing them BASF Aktiengesellschaft (DE) 1994-03-30 EP disclosed