SCHEMBL7769250

SCHEMBL7769250

CCC(=O)CCCC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 3/20 0.41
SOAT1 P35610 2/20 0.41
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
FFAR3 O14843 1/20 0.33
IAPP P10997 1/20 0.32
HAO1 Q9UJM8 1/20 0.32
ALOX15 P16050 2/20 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
SCHEMBL29602724 0.94 TDP1 (0.47) TDP1KMT2ASOAT1MEN1FAAH
SCHEMBL28315001 0.92 KMT2A (0.50) TDP1KMT2ASOAT1MEN1FAAH
SCHEMBL30361025 0.92 KMT2A (0.50) TDP1KMT2ASOAT1MEN1FAAH
SCHEMBL1771453 0.88 TDP1 (0.60) TDP1KMT2AMAPTLMNAALDH1A1
SCHEMBL868638 0.86
SCHEMBL30381889 0.83 TDP1 (0.47) TDP1KMT2ASOAT1MEN1FAAH
SCHEMBL23735973 0.82 TDP1 (0.53) TDP1KMT2AMAPTLMNAALDH1A1
SCHEMBL17715350 0.82 TDP1 (0.41) TDP1KMT2AFAAHMAPTLMNA
SCHEMBL12673292 0.82 TDP1 (0.60) TDP1KMT2AMEN1MAPTALDH1A1
SCHEMBL7769872 0.81 KMT2A (0.45) KMT2ASOAT1MEN1FAAHTP53

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