SCHEMBL8201908

SCHEMBL8201908

O=C(O)[C@@H](NCC1C2CNCC21)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
SSTR4 P31391 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
FPR2 P25090 1/20 0.32
EPHX1 P07099 5/20 0.32
ALDH1A1 P00352 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP13 P45452 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP2D6 P10635 1/20 0.31
CTSL P07711 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL8203133 0.82 EPHX1 (0.37) SSTR4EPHX1MEN1KMT2A
SCHEMBL8210248 0.77 EPHX1 (0.41) CPN1CPB2ITGB3EPHX1CYP2D6
SCHEMBL27733842 0.72 SMN1; SMN2 (0.41) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL21468160 0.72 SMN1; SMN2 (0.41) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL8991906 0.72 ALDH1A1 (0.42) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL1410684 0.72 SMN1; SMN2 (0.41) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL3774861 0.71 CYP2D6 (0.53) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL30063639 0.70 SMN1; SMN2 (0.38) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL1410772 0.68 ALDH1A1 (0.44) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL30063536 0.67 EPHX1 (0.43) ITGB3ITGB1ITGAVITGA5EPHX1

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-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed