SCHEMBL8548486

SCHEMBL8548486

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC3 O15379 1/20 0.40
PARP10 Q53GL7 1/20 0.40
CACNA1B Q00975 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL8548482 1.00 CTSK (0.46) CTSKKMT2AMEN1ALDH1A1MAPT
SCHEMBL8545352 0.90 KMT2A (0.46) CTSKKMT2AMEN1ALDH1A1MAPT
SCHEMBL8545349 0.90 KMT2A (0.46) CTSKKMT2AMEN1ALDH1A1MAPT
SCHEMBL8544621 0.89 CTSK (0.47) CTSKKMT2AMEN1ALDH1A1
SCHEMBL8544615 0.89 CTSK (0.47) CTSKKMT2AMEN1ALDH1A1
SCHEMBL8543314 0.89 CTSK (0.53) CTSKKMT2AMEN1ALDH1A1MAPT
SCHEMBL8543316 0.89 CTSK (0.53) CTSKKMT2AMEN1ALDH1A1MAPT
SCHEMBL8549474 0.88 CTSK (0.56) CTSKALDH1A1SMN1; SMN2
SCHEMBL8549483 0.88 CTSK (0.56) CTSKALDH1A1SMN1; SMN2
SCHEMBL8548689 0.88 PTGER4 (0.49) CTSKHRH3HDAC1HDAC2HDAC3

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