SCHEMBL7769866

SCHEMBL7769866

CCCC(=O)CCCC([NH])=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CES2 O00748 6/20 0.39
CES1 P23141 6/20 0.39
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
FFAR3 O14843 3/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HAO1 Q9UJM8 1/20 0.34
IAPP P10997 1/20 0.33
AKR1B1 P15121 1/20 0.33
TP53 P04637 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL16663701 0.87 MAPT (0.52) MAPTKMT2ACES2CES1HDAC3
SCHEMBL7771051 0.84 CES2 (0.43) MAPTKMT2ACES2CES1HDAC3
SCHEMBL7769247 0.82 TDP1 (0.45) MAPTKMT2ACES2CES1FFAR3
SCHEMBL17473897 0.81 CES1 (0.55) MAPTKMT2ACES2CES1HDAC3
SCHEMBL5194043 0.81 KMT2A (0.59) MAPTKMT2ACES2CES1HDAC3
SCHEMBL23437836 0.79 KMT2A (0.65) MAPTKMT2ACES2CES1TSHR
SCHEMBL18043750 0.79 TDP1 (0.47) MAPTKMT2ACES2CES1HDAC3
SCHEMBL10885739 0.79 TDP1 (0.47) MAPTKMT2ACES2CES1HDAC3
SCHEMBL109288 0.78
SCHEMBL20913016 0.78 CES1 (0.58) MAPTKMT2ACES2CES1HDAC3

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