SCHEMBL7769331

SCHEMBL7769331

CCCC(=O)[N]NC(=O)CF

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CTSD P07339 1/20 0.37
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ALDH1A1 P00352 2/20 0.32
FFAR3 O14843 3/20 0.32
CASP2 P42575 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL7771427 0.88 CES1 (0.38) CES2CES1ALDH1A1CASP2
SCHEMBL7769664 0.83 MEN1 (0.30)
SCHEMBL7773562 0.82 ALDH1A1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7765801 0.81 ALDH1A1 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7770074 0.81 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7769432 0.79 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8822944 0.79 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9821272 0.76 CES1 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7773606 0.75 FAAH (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7771071 0.73 CES2 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6

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