SCHEMBL8548689

SCHEMBL8548689

O=C(CN1CCC[C@H]1C(=O)NC(=O)c1ccccc1)c1ccc(OCCOc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.49
HRH3 Q9Y5N1 4/20 0.48
PTGER2 P43116 2/20 0.47
CTSK P43235 4/20 0.46
LTA4H P09960 2/20 0.45
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC3 O15379 1/20 0.43

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
SCHEMBL8548691 1.00 PTGER4 (0.49) PTGER4HRH3PTGER2CTSKLTA4H
SCHEMBL8544615 0.92 CTSK (0.47) CTSK
SCHEMBL8544621 0.92 CTSK (0.47) CTSK
SCHEMBL8543314 0.89 CTSK (0.53) CTSK
SCHEMBL8543316 0.89 CTSK (0.53) CTSK
SCHEMBL8549483 0.88 CTSK (0.56) CTSK
SCHEMBL8549474 0.88 CTSK (0.56) CTSK
SCHEMBL8548482 0.88 CTSK (0.46) HRH3CTSKHDAC1HDAC2HDAC3
SCHEMBL8548486 0.88 CTSK (0.46) HRH3CTSKHDAC1HDAC2HDAC3
SCHEMBL8548835 0.86 CTSK (0.49) CTSK

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