SCHEMBL6497833

SCHEMBL6497833

CN(C(=O)OC(C)(C)C)C(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
PREP P48147 2/20 0.37
CTSD P07339 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL4820347 0.74 HPGD (0.39) HPGDPREPCTSDCTSLCTSB
SCHEMBL8737769 0.73 HDAC6 (0.39) CTSDCTSLCTSBCTSSSMN1; SMN2
SCHEMBL510436 0.72 ALDH1A1 (0.42) HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL60470 0.72 HPGD (0.71) HPGDPREPSMN1; SMN2USP2EPHX1
SCHEMBL21707988 0.72 HPGD (0.71) HPGDPREPSMN1; SMN2USP2EPHX1
SCHEMBL18097955 0.72 HPGD (0.71) HPGDPREPSMN1; SMN2USP2EPHX1
SCHEMBL2077166 0.72 HPGD (0.71) HPGDPREPSMN1; SMN2USP2EPHX1
SCHEMBL19852529 0.72 HPGD (0.71) HPGDPREPSMN1; SMN2USP2EPHX1
SCHEMBL18432213 0.72 HPGD (0.71) HPGDPREPSMN1; SMN2USP2EPHX1
SCHEMBL19864899 0.72 HPGD (0.71) HPGDPREPSMN1; SMN2USP2EPHX1

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-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed