SCHEMBL4575872

SCHEMBL4575872

CCOC(=O)C1CCCNN1C(=O)Cc1c(C)cc(C2CC2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.35
ALDH1A1 P00352 6/20 0.35
TSHR P16473 2/20 0.35
FKBP1A P62942 3/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.32
MMP3 P08254 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 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
SCHEMBL8849128 0.90 POLB (0.38) KDM4EALDH1A1TSHRFKBP1AMAPK1
SCHEMBL1720844 0.82 ALDH1A1 (0.38) KDM4EALDH1A1TSHRFKBP1AMAPK1
SCHEMBL6228181 0.81 ALDH1A1 (0.43) KDM4EALDH1A1TSHRMAPK1KMT2A
SCHEMBL5733102 0.76 KMT2A (0.40) KDM4EALDH1A1TSHRMAPK1RECQL
SCHEMBL5747695 0.74 TSHR (0.43) KDM4EALDH1A1TSHRMAPK1RECQL
SCHEMBL2430037 0.72 KMT2A (0.35) KDM4EALDH1A1TSHRKMT2AMEN1
SCHEMBL2431064 0.71 MAPT (0.35) KDM4EALDH1A1TSHRKMT2AMEN1
SCHEMBL9727504 0.69 FKBP1A (0.53) KDM4EALDH1A1TSHRFKBP1AMAPK1
SCHEMBL8877101 0.68 ALDH1A1 (0.42) KDM4EALDH1A1TSHRKMT2AMEN1
SCHEMBL9727245 0.68 FKBP1A (0.51) KDM4EALDH1A1TSHRFKBP1AMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989162-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS Bayer CropScience AG (DE) 2008-11-12 EP disclosed
WO-2007096058-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2007-08-30 WO disclosed