SCHEMBL7773649

SCHEMBL7773649

NC(=O)CNC(=O)CCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.62
HDAC2 Q92769 3/20 0.62
HDAC3 O15379 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
HPGD P15428 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TRPV1 Q8NER1 1/20 0.59
LMNA P02545 3/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.55
ADRA1A P35348 1/20 0.55
HDAC4 P56524 1/20 0.55
SLC6A3 Q01959 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55

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
SCHEMBL7773734 0.95 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL7769503 0.90 HDAC2 (0.59) HDAC1HDAC2HDAC8HDAC6HPGD
SCHEMBL402513 0.86 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL7773648 0.83 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL4929107 0.83 HDAC1 (0.77) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL22632074 0.82 HPGD (0.63) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL7859 0.82 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL9369915 0.81 LMNA (0.67) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL3435489 0.81 TRPV1 (0.84) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL13073412 0.81 HDAC3 (0.78) HDAC1HDAC2HDAC3HDAC8HDAC6

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