SCHEMBL8549703

SCHEMBL8549703

COc1ccc(C(=O)NC(=O)[C@H]2CCCN2CC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
DPP4 P27487 1/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41
P2RX7 Q99572 1/20 0.41
ALOX5 P09917 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CTSK P43235 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP9 P14780 2/20 0.39
MMP3 P08254 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
SCHEMBL8549691 1.00 CNR2 (0.47) CNR2ALDH1A1SMN1; SMN2MAPTOPRM1
SCHEMBL8544264 0.87 HSD11B1 (0.46) ALDH1A1MAPTHTTHPGDPOLB
SCHEMBL8544257 0.87 HSD11B1 (0.46) ALDH1A1MAPTHTTHPGDPOLB
SCHEMBL8549491 0.85 KMT2A (0.47) ALDH1A1SMN1; SMN2HTTDPP4KMT2A
SCHEMBL8549484 0.85 KMT2A (0.47) ALDH1A1SMN1; SMN2HTTDPP4KMT2A
SCHEMBL8549705 0.84 PKM (0.54) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8543046 0.83 KMT2A (0.52) CNR2ALDH1A1SMN1; SMN2MAPTP2RX7
SCHEMBL8543030 0.83 KMT2A (0.52) CNR2ALDH1A1SMN1; SMN2MAPTP2RX7
SCHEMBL8549474 0.80 CTSK (0.56) ALDH1A1SMN1; SMN2OPRM1OPRK1ALOX15
SCHEMBL8549483 0.80 CTSK (0.56) ALDH1A1SMN1; SMN2OPRM1OPRK1ALOX15

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 6 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
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US 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