SCHEMBL7868415

SCHEMBL7868415

NC(CCCCC1CCCCC1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.50
METAP1 P53582 1/20 0.46
ARG2 P78540 4/20 0.46
ARG1 P05089 3/20 0.46
SIGMAR1 Q99720 1/20 0.46
EPHX1 P07099 1/20 0.44
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
KDM5A P29375 2/20 0.42
PHF8 Q9UPP1 2/20 0.42
KDM2A Q9Y2K7 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM4A O75164 1/20 0.42
GRIK1 P39086 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41

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
SCHEMBL10073275 1.00 GSR (0.50) GSRMETAP1ARG2ARG1SIGMAR1
SCHEMBL23740241 1.00 GSR (0.50) GSRMETAP1ARG2ARG1SIGMAR1
SCHEMBL5843553 0.95 METAP1 (0.47) GSRMETAP1ARG2ARG1SIGMAR1
SCHEMBL5843561 0.95 METAP1 (0.47) GSRMETAP1ARG2ARG1SIGMAR1
SCHEMBL18762478 0.93 GSR (0.48) GSRMETAP1ARG2ARG1SLC1A3
SCHEMBL28868842 0.91 GSR (0.55) GSRARG2ARG1SLC1A3SLC1A2
SCHEMBL2877061 0.87 METAP1 (0.55) GSRMETAP1SLC1A3SLC1A2SLC1A1
SCHEMBL1224024 0.87 METAP1 (0.55) GSRMETAP1SLC1A3SLC1A2SLC1A1
SCHEMBL1768565 0.87 METAP1 (0.55) GSRMETAP1SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL2033821 0.85 METAP1 (0.53) GSRMETAP1SLC1A3SLC1A2SLC1A1

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
WO-2012051663-A1 ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2012-04-26 WO disclosed
WO-2010130007-A1 ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2010-11-18 WO disclosed