SCHEMBL8548133

SCHEMBL8548133

COc1cccc(C(=O)CN2CCC[C@@H]2C(=O)NC(=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.47
CTSK P43235 2/20 0.47
PREP P48147 1/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
GRIN2B Q13224 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
KDM2B Q8NHM5 3/20 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
SCHEMBL8548127 1.00 MEN1 (0.51) MEN1KMT2ARAB9ANPC1CTSK
SCHEMBL8544642 0.91 ERCC5 (0.49) MEN1KMT2ARAB9ANPC1CTSK
SCHEMBL8544653 0.91 ERCC5 (0.49) MEN1KMT2ARAB9ANPC1CTSK
SCHEMBL8549474 0.90 CTSK (0.56) CTSKALDH1A1MAPK1SMN1; SMN2
SCHEMBL8549483 0.90 CTSK (0.56) CTSKALDH1A1MAPK1SMN1; SMN2
SCHEMBL8545349 0.89 KMT2A (0.46) MEN1KMT2ARAB9ACTSKALDH1A1
SCHEMBL8545352 0.89 KMT2A (0.46) MEN1KMT2ARAB9ACTSKALDH1A1
SCHEMBL8543631 0.87 SPHK1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8543635 0.87 SPHK1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8546896 0.86 ALDH1A1 (0.48) KMT2ACTSKALDH1A1SMN1; SMN2

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 5 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
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed