SCHEMBL7770925

SCHEMBL7770925

CC(C)(C)C(=O)CCCC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
CYP1A2 P05177 2/20 0.35
SOAT1 P35610 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CES1 P23141 5/20 0.33
CES2 O00748 2/20 0.33
RCE1 Q9Y256 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL5021516 0.89 FAAH (0.40) FAAHKMT2AMEN1CYP1A2CES1
SCHEMBL866506 0.86 KMT2A (0.34) FAAHKMT2AMEN1CYP1A2SOAT1
SCHEMBL16640759 0.83 FAAH (0.46) FAAHKMT2AMEN1CYP1A2CES1
SCHEMBL19163900 0.80 FAAH (0.48) FAAHKMT2AMEN1CYP1A2CES1
SCHEMBL12247043 0.80 FAAH (0.48) FAAHKMT2AMEN1CYP1A2CES1
SCHEMBL13661862 0.80 FAAH (0.48) FAAHKMT2AMEN1CYP1A2CES1
SCHEMBL16640758 0.80 FAAH (0.48) FAAHKMT2AMEN1CYP1A2CES1
SCHEMBL16722811 0.80 FAAH (0.48) FAAHKMT2AMEN1CYP1A2CES1
SCHEMBL18751671 0.80 FAAH (0.48) FAAHKMT2AMEN1CYP1A2CES1
SCHEMBL10110819 0.79 CYP1A2 (0.48) FAAHKMT2AMEN1CYP1A2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed