SCHEMBL7766040

SCHEMBL7766040

CCCCC(=O)[N]NC(=O)CI

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.38
CES2 O00748 2/20 0.38
ALDH1A1 P00352 5/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CA1 P00915 1/20 0.34
FAAH O00519 2/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASP2 P42575 1/20 0.33
TRPV1 Q8NER1 4/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
MAPK1 P28482 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
SCHEMBL7769432 0.88 HDAC3 (0.38) CES1CES2ALDH1A1CASP2MAPK1
SCHEMBL7770041 0.82 CES1 (0.39) CES1CES2ALDH1A1TP53HSP90AA1
SCHEMBL7771427 0.81 CES1 (0.38) CES1CES2ALDH1A1TP53HSP90AA1
SCHEMBL7769447 0.81 FAAH (0.42) CES1CES2ALDH1A1TP53HSP90AA1
SCHEMBL7765959 0.79 MEN1 (0.30) MEN1KMT2A
SCHEMBL7769845 0.78 FAAH (0.46) CES1CES2ALDH1A1TP53HSP90AA1
SCHEMBL7769860 0.78 ALDH1A1 (0.40) CES1CES2ALDH1A1HSP90AA1FAAH
SCHEMBL7771382 0.77 ALDH1A1 (0.42) ALDH1A1HSP90AA1FAAHMAPTMEN1
SCHEMBL7769364 0.72 EPHX1 (0.46) CES1CES2ALDH1A1FAAHMEN1
SCHEMBL7771405 0.72 ALDH1A1 (0.39) CES1CES2ALDH1A1TP53HSP90AA1

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