SCHEMBL8549705

SCHEMBL8549705

COc1ccc(CNC(=O)[C@@H]2CCCN2CC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
F2 P00734 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.44
EPHX2 P34913 1/20 0.44
MEN1 O00255 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
SCHEMBL8544266 0.87 HPGD (0.54) PKMALDH1A1SMN1; SMN2NPC1F2
SCHEMBL8549494 0.85 ALDH1A1 (0.56) PKMALDH1A1SMN1; SMN2F2MAPT
SCHEMBL8549691 0.84 CNR2 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8549703 0.84 CNR2 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8543051 0.83 RAB9A (0.56) ALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL8549486 0.77 ALDH1A1 (0.56) PKMALDH1A1SMN1; SMN2F2MAPT
SCHEMBL8543196 0.77 HSD11B1 (0.62) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11738645 0.76 HPGD (0.69) ALDH1A1KMT2AEPHX2MEN1
SCHEMBL8543046 0.75 KMT2A (0.52) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL8543030 0.75 KMT2A (0.52) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP claimed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed