SCHEMBL8549484

SCHEMBL8549484

O=C(NC(=O)[C@@H]1CCCN1CC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD11B1 P28845 2/20 0.45
CYP17A1 P05093 4/20 0.40
CYP19A1 P11511 2/20 0.40
EPHX1 P07099 2/20 0.39
EPHX2 P34913 2/20 0.39
PREP P48147 2/20 0.37
DPP4 P27487 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL8549491 1.00 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL8544264 0.89 HSD11B1 (0.46) KDM4EALDH1A1LMNAHTTHSD11B1
SCHEMBL8544257 0.89 HSD11B1 (0.46) KDM4EALDH1A1LMNAHTTHSD11B1
SCHEMBL8549703 0.85 CNR2 (0.47) KMT2AALDH1A1HTTSMN1; SMN2HSD11B1
SCHEMBL8549691 0.85 CNR2 (0.47) KMT2AALDH1A1HTTSMN1; SMN2HSD11B1
SCHEMBL8549494 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HSD11B1CYP17A1CYP19A1
SCHEMBL8543192 0.83 HSD11B1 (0.54) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL8548918 0.83 HSD11B1 (0.54) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL8549977 0.78 HSD11B1 (0.44) ALDH1A1HSD11B1EPHX1
SCHEMBL8543046 0.77 KMT2A (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2HSD11B1

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-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