SCHEMBL7770041

SCHEMBL7770041

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.39
CES2 O00748 2/20 0.39
FAAH O00519 5/20 0.39
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.36
ASAH1 Q13510 1/20 0.36
CA1 P00915 1/20 0.35
CASP2 P42575 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL7770074 0.88 HDAC3 (0.39) CES1CES2FAAHALDH1A1TP53
SCHEMBL7766040 0.82 CES1 (0.38) CES1CES2FAAHALDH1A1TP53
SCHEMBL7771427 0.82 CES1 (0.38) CES1CES2FAAHALDH1A1TP53
SCHEMBL7769447 0.82 FAAH (0.42) CES1CES2FAAHALDH1A1TP53
SCHEMBL7769860 0.79 ALDH1A1 (0.40) CES1CES2FAAHALDH1A1HSP90AA1
SCHEMBL7769845 0.79 FAAH (0.46) CES1CES2FAAHALDH1A1TP53
SCHEMBL7769351 0.79 TRPA1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL7771382 0.78 ALDH1A1 (0.42) FAAHALDH1A1HSP90AA1MAPTMEN1
SCHEMBL7771405 0.73 ALDH1A1 (0.39) CES1CES2FAAHALDH1A1TP53
SCHEMBL7769364 0.73 EPHX1 (0.46) CES1CES2FAAHALDH1A1MEN1

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