SCHEMBL7769447

SCHEMBL7769447

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.42
ALDH1A1 P00352 6/20 0.40
TP53 P04637 1/20 0.40
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
CASP2 P42575 1/20 0.37
HSP90AA1 P07900 1/20 0.35
NAAA Q02083 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CA1 P00915 1/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
ALOX12 P18054 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL8822944 0.88 HDAC3 (0.38) FAAHALDH1A1CES1CES2CASP2
SCHEMBL7769845 0.85 FAAH (0.46) FAAHALDH1A1TP53CES1CES2
SCHEMBL7770041 0.82 CES1 (0.39) FAAHALDH1A1TP53CES1CES2
SCHEMBL7771427 0.81 CES1 (0.38) FAAHALDH1A1TP53CES1CES2
SCHEMBL7766040 0.81 CES1 (0.38) FAAHALDH1A1TP53CES1CES2
SCHEMBL7765728 0.79 SMN1; SMN2 (0.36) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7769860 0.78 ALDH1A1 (0.40) FAAHALDH1A1CES1CES2HSP90AA1
SCHEMBL7771382 0.77 ALDH1A1 (0.42) FAAHALDH1A1HSP90AA1SMN1; SMN2MAPT
SCHEMBL7771405 0.76 ALDH1A1 (0.39) FAAHALDH1A1TP53CES1CES2
SCHEMBL7765719 0.76 ALDH1A1 (0.39) FAAHALDH1A1TP53CES1CES2

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