SCHEMBL7765731

SCHEMBL7765731

NC(=O)CCNC(=O)CCl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ECE1 P42892 2/20 0.37
FAAH O00519 2/20 0.36
TEAD1 P28347 1/20 0.36
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36
TEAD2 Q15562 1/20 0.36
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
CASP2 P42575 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL28837343 0.88 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2FAAHTEAD1YAP1
SCHEMBL7765847 0.82 FAAH (0.52) ALDH1A1SMN1; SMN2FAAHTSHRCASP2
SCHEMBL2200631 0.80 CA2 (0.38) ALDH1A1SMN1; SMN2ECE1TSHRKMT2A
SCHEMBL13368240 0.80 ECE1 (0.37) ALDH1A1SMN1; SMN2ECE1TSHRKMT2A
SCHEMBL7828830 0.78 MEN1 (0.58) ALDH1A1ECE1FAAHTSHRKMT2A
SCHEMBL2784004 0.78 HDAC6 (0.40) ALDH1A1SMN1; SMN2ECE1KMT2AMEN1
SCHEMBL7769353 0.78 HDAC3 (0.39) ALDH1A1SMN1; SMN2ECE1FAAHKMT2A
SCHEMBL7765966 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2ECE1KMT2AMEN1
SCHEMBL7769667 0.78 ECE1 (0.35) ALDH1A1SMN1; SMN2ECE1FAAHKMT2A
SCHEMBL12573540 0.78 TSHR (0.42) ALDH1A1ECE1TSHRCASP2ITGB3

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