SCHEMBL8548841

SCHEMBL8548841

O=C(CN1CCC[C@@H]1C(=O)NC(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.49
DPP4 P27487 1/20 0.45
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
HAO1 Q9UJM8 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL8548835 1.00 CTSK (0.49) CTSKDPP4RAB9ASMN1; SMN2MEN1
SCHEMBL8543314 0.94 CTSK (0.53) CTSKDPP4RAB9AMEN1KMT2A
SCHEMBL8543316 0.94 CTSK (0.53) CTSKDPP4RAB9AMEN1KMT2A
SCHEMBL8543065 0.90 CTSK (0.54) CTSKSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL8544630 0.90 CTSK (0.48) CTSKALDH1A1
SCHEMBL8549162 0.90 CTSK (0.55) CTSKRAB9AMEN1KMT2ANPC1
SCHEMBL8544632 0.90 CTSK (0.48) CTSKALDH1A1
SCHEMBL8543070 0.90 CTSK (0.54) CTSKSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL8549164 0.90 CTSK (0.55) CTSKRAB9AMEN1KMT2ANPC1
SCHEMBL8545017 0.90 CTSK (0.48) CTSKMEN1KMT2ANPSR1KDM4E

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