SCHEMBL6797927

SCHEMBL6797927

O=C(O)CC1CCCN(CCSc2cccs2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
LTA4H P09960 2/20 0.41
KCNH2 Q12809 4/20 0.40
SLC6A1 P30531 1/20 0.40
SLC6A11 P48066 1/20 0.40
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL28782135 0.76 POLB (0.47) LTA4HKCNH2SLC6A1SLC6A11MAPT
SCHEMBL9142984 0.74 MEN1 (0.45) KDM4ELTA4HKCNH2MAPTRAB9A
SCHEMBL27564530 0.73 KDM4E (0.42) KDM4ELTA4HSLC6A1SLC6A11
SCHEMBL28747644 0.71 CHRNB4 (0.62) KDM4E
SCHEMBL27584211 0.70 CHRNB4 (0.58) KDM4E
SCHEMBL8697094 0.70 LTA4H (0.66) KDM4ELTA4H
SCHEMBL10285195 0.69 KCNH2 (0.41) KDM4EKCNH2MAPT
SCHEMBL11197152 0.68 SLC6A1 (0.70) SLC6A1
SCHEMBL9143896 0.67 OPRM1 (0.62) KCNH2
SCHEMBL5717731 0.67 HPGD (0.47) KDM4EMAPTRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815547-B2 ANTIMICROBIAL AGENTS EFFECTIVE AGAINST STAPHYLOCOCCUS, STREPTOCOCCUS, ENTEROCOCCUS AVENTIS PHARMA S.A. (FR) 2004-11-09 US disclosed
US-6602884-B2 Useful as antibiotics against Staphylococcus, Streptococcus, Enterococcus and Moraxella AVENTIS PHARMA S.A. (FR) 2003-08-05 US disclosed