SCHEMBL5733102

SCHEMBL5733102

CCOC(=O)C1CCCNN1C(=O)Cc1c(Cl)cc(C)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 5/20 0.40
TSHR P16473 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 8/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 3/20 0.36
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL6228181 0.84 ALDH1A1 (0.43) KMT2AMEN1KDM4ETSHRALDH1A1
SCHEMBL8849128 0.83 POLB (0.38) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL4575872 0.76 KDM4E (0.35) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL1814587 0.74 TAS1R3 (0.52) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL1812603 0.73 SMN1; SMN2 (0.42) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL1720844 0.72 ALDH1A1 (0.38) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL5747695 0.72 TSHR (0.43) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL14405368 0.68 SMN1; SMN2 (0.40) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL24841250 0.67 CYP3A4 (0.46) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL1424023 0.67 PTGS1 (0.46) KDM4ETSHRPOLBALDH1A1HTT

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-1732930-A2 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES Bayer CropScience Aktiengesellschaft (DE) 2006-12-20 EP disclosed
WO-2005092897-A2 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES BAYER CROPSCIENCE AG (DE) 2005-10-06 WO disclosed