SCHEMBL5326388

SCHEMBL5326388

CCCC[C@@H](CC)C(=O)NC

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.70
CA1 P00915 5/20 0.70
MAPK1 P28482 2/20 0.59
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP3 P08254 2/20 0.44
MMP7 P09237 1/20 0.44

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
SCHEMBL2106254 1.00 CA2 (0.70) CA2CA1MAPK1MEN1ALDH1A1
SCHEMBL6920893 0.92 CA2 (0.60) CA2CA1MAPK1MMP1MMP2
SCHEMBL18376172 0.92 CA2 (0.60) CA2CA1MAPK1MMP1MMP2
SCHEMBL25090841 0.91 CA2 (0.57) CA2CA1MAPK1MMP1MMP2
SCHEMBL8257353 0.87 CA2 (0.53) CA2CA1MAPK1MMP1MMP2
SCHEMBL18643837 0.87 HDAC7 (0.56) CA2CA1MAPK1TSHRMMP1
SCHEMBL18664332 0.86 HDAC7 (0.54) CA2CA1MAPK1MEN1ALDH1A1
SCHEMBL18664295 0.86 HDAC7 (0.54) CA2CA1MAPK1MEN1ALDH1A1
SCHEMBL22276969 0.85 CA2 (0.57) CA2CA1MMP1MMP2MMP3
SCHEMBL12786227 0.85 CA2 (0.57) CA2CA1MMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed