SCHEMBL7769872

SCHEMBL7769872

CCCC(=O)CCCC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
SOAT1 P35610 2/20 0.45
MEN1 O00255 1/20 0.45
FAAH O00519 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.44
CNR1 P21554 1/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
KDM4E B2RXH2 2/20 0.41
FFAR3 O14843 3/20 0.39
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
CTSD P07339 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL16663701 0.89 MAPT (0.52) KMT2ATP53MAPTCES2CES1
SCHEMBL7771056 0.86 CES2 (0.43) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL1685051 0.85 KMT2A (0.64) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL19400349 0.85 KMT2A (0.64) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL27525518 0.84 KMT2A (0.56) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL17473897 0.83 CES1 (0.55) KMT2AMEN1TP53MAPTCES2
SCHEMBL5194043 0.83 KMT2A (0.59) KMT2AMEN1MAPTCES2CES1
SCHEMBL28377789 0.82 CES1 (0.48) KMT2AMAPTCES2CES1FFAR3
SCHEMBL23437836 0.81 KMT2A (0.65) KMT2AMEN1MAPTCES2CES1
SCHEMBL10885739 0.81 TDP1 (0.47) KMT2ATP53MAPTCES2CES1

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