SCHEMBL3685546

SCHEMBL3685546

Cc1cc(C)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
OPRM1 P35372 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
BCL6 P41182 1/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL14996637 0.86 LMNA (0.50) LMNASIGMAR1OPRM1L3MBTL1CNR1
SCHEMBL28171784 0.86 KDM4E (0.51) KDM4EGAATHRBTSHRL3MBTL1
SCHEMBL17255695 0.83 KDM4E (0.66) KDM4EGAATSHRSMN1; SMN2L3MBTL1
SCHEMBL11652491 0.83 LMNA (0.51) LMNASMN1; SMN2OPRM1L3MBTL1CNR1
SCHEMBL31324272 0.83 LMNA (0.51) LMNASMN1; SMN2OPRM1L3MBTL1CNR1
SCHEMBL11435978 0.83 LMNA (0.51) LMNAOPRM1L3MBTL1CNR1CNR2
SCHEMBL16911019 0.83 KDM4E (0.56) KDM4ELMNAGAATSHRL3MBTL1
SCHEMBL14996548 0.83 LMNA (0.48) LMNASIGMAR1OPRM1L3MBTL1CNR1
SCHEMBL16910723 0.80 KDM4E (0.47) KDM4ELMNAGAATSHRSMN1; SMN2
SCHEMBL14996676 0.80 SIGMAR1 (0.57) LMNASIGMAR1OPRM1L3MBTL1CNR1

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
EP-2185563-A1 OXASPIROCYCLIC SPIRO-SUBSTITUTED TETRAMIC AND TETRONIC ACID DERIVATIVES Bayer CropScience AG (DE) 2010-05-19 EP claimed
WO-2009015801-A1 OXASPIROCYCLIC SPIRO-SUBSTITUTED TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-02-05 WO claimed
EP-2013168-A1 ALKOXYALKYL-SUBSTITUTED CYCLIC KETOENOLS Bayer CropScience AG (DE) 2009-01-14 EP claimed
EP-1966135-A2 3'-ALKOXY-SPIROCYCLOPENTYL-SUBSTITUTED TETRAMIC AND TETRONIC ACIDS Bayer CropScience AG (DE) 2008-09-10 EP claimed
EP-1943218-A2 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS Bayer CropScience AG (DE) 2008-07-16 EP claimed
WO-2007121868-A1 ALKOXYALKYL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (US) 2007-11-01 WO claimed
WO-2007073856-A2 3'-ALKOXY-SPIROCYCLOPENTYL-SUBSTITUTED TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2007-07-05 WO claimed
EP-1791816-A1 IODINE-PHENYL-SUBSTITUTED CYCLIC CETOENOLS Bayer CropScience Aktiengesellschaft (DE) 2007-06-06 EP claimed
WO-2007048545-A2 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2007-05-03 WO claimed
WO-2006029799-A1 IODINE-PHENYL-SUBSTITUTED CYCLIC CETOENOLS BAYER CROPSCIENCE AG (DE) 2006-03-23 WO claimed
EP-1587786-A1 2.4-DIHALOGEN-6-(C sb 2 /sb -C sb 3 /sb -ALKYL)-PHENYL SUBSTITUTED TETRAMIC ACID DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-10-26 EP claimed
WO-2004065366-A1 2.4-DIHALOGEN-6-(C2-C3-ALKYL)-PHENYL SUBSTITUTED TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 WO claimed
EP-1802197-A1 FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS Bayer CropScience Aktiengesellschaft (DE) 2007-07-04 EP disclosed
WO-2006040016-A1 FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-04-20 WO disclosed