SCHEMBL8348656

SCHEMBL8348656

CC(C)(C)OC(=O)CN(CCSc1ccc(Br)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
SSTR4 P31391 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
SDCBP O00560 1/20 0.35
SDC2 P34741 1/20 0.35
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL6786407 0.91 L3MBTL1 (0.39) HSP90AA1KCNH2SMN1; SMN2SSTR4L3MBTL1
SCHEMBL8348739 0.85 SLC6A4 (0.36) SSTR4L3MBTL1SDCBPSDC2RAB9A
SCHEMBL8344651 0.84 CYP19A1 (0.38) ALDH1A1MAPT
SCHEMBL7016547 0.78 HSP90AA1 (0.50) HSP90AA1KCNH2SMN1; SMN2L3MBTL1SDCBP
SCHEMBL6787040 0.77 SLC6A4 (0.36) SMN1; SMN2SSTR4L3MBTL1SDCBPSDC2
SCHEMBL7049482 0.75 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AALDH1A1LMNAMEN1
SCHEMBL8348150 0.73 L3MBTL1 (0.46) HSP90AA1KCNH2SMN1; SMN2L3MBTL1SDCBP
SCHEMBL24483689 0.72 ALDH1A1 (0.39) SMN1; SMN2L3MBTL1ALDH1A1LMNANPC1
SCHEMBL28409176 0.71 CA14 (0.41) SSTR4L3MBTL1NFKB1NFKB2RELA
SCHEMBL25359493 0.70 CA14 (0.43) SSTR4

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-2004016583-A1 SUBSTITUTED GLYCINE DERIVATIVES FOR USE AS MEDICAMENTS PFIZER LIMITED (GB) 2004-02-26 WO disclosed