SCHEMBL8544642

SCHEMBL8544642

O=C(CN1CCC[C@H]1C(=O)NC(=O)c1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
PKM P14618 1/20 0.48
NPC1 O15118 1/20 0.47
KDM2B Q8NHM5 3/20 0.46
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSK P43235 3/20 0.43
HDAC8 Q9BY41 1/20 0.43
PARP14 Q460N5 2/20 0.42
PARP10 Q53GL7 2/20 0.42
LMNA P02545 1/20 0.42
MCHR1 Q99705 2/20 0.41
MCHR2 Q969V1 1/20 0.41
AKR1C3 P42330 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
SCHEMBL8544653 1.00 ERCC5 (0.49) ERCC5FEN1PKMNPC1KDM2B
SCHEMBL8544615 0.92 CTSK (0.47) ERCC5FEN1NPC1KDM2BRAB9A
SCHEMBL8544621 0.92 CTSK (0.47) ERCC5FEN1NPC1KDM2BRAB9A
SCHEMBL8548127 0.91 MEN1 (0.51) NPC1KDM2BRAB9AMEN1KMT2A
SCHEMBL8548133 0.91 MEN1 (0.51) NPC1KDM2BRAB9AMEN1KMT2A
SCHEMBL8545352 0.90 KMT2A (0.46) RAB9AMEN1KMT2ACTSK
SCHEMBL8545349 0.90 KMT2A (0.46) RAB9AMEN1KMT2ACTSK
SCHEMBL8543631 0.88 SPHK1 (0.54) KDM2BMEN1KMT2ALMNA
SCHEMBL8543635 0.88 SPHK1 (0.54) KDM2BMEN1KMT2ALMNA
SCHEMBL8543316 0.87 CTSK (0.53) NPC1RAB9AMEN1KMT2ACTSK

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