SCHEMBL8544264

SCHEMBL8544264

O=C(NC(=O)[C@H]1CCCN1CC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
EPHX1 P07099 1/20 0.44
P2RX7 Q99572 1/20 0.43
FAAH O00519 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
CTSK P43235 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
FKBP1A P62942 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 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
SCHEMBL8544257 1.00 HSD11B1 (0.46) HSD11B1EPHX1P2RX7FAAHALDH1A1
SCHEMBL8549484 0.89 KMT2A (0.47) HSD11B1EPHX1ALDH1A1KDM4EHTT
SCHEMBL8549491 0.89 KMT2A (0.47) HSD11B1EPHX1ALDH1A1KDM4EHTT
SCHEMBL8549977 0.89 HSD11B1 (0.44) HSD11B1EPHX1P2RX7FAAHALDH1A1
SCHEMBL8549703 0.87 CNR2 (0.47) HSD11B1P2RX7ALDH1A1HTTMAPT
SCHEMBL8549691 0.87 CNR2 (0.47) HSD11B1P2RX7ALDH1A1HTTMAPT
SCHEMBL8546685 0.85 HSD11B1 (0.54) HSD11B1EPHX1FAAHALDH1A1NPSR1
SCHEMBL8546679 0.85 HSD11B1 (0.54) HSD11B1EPHX1FAAHALDH1A1NPSR1
SCHEMBL8813502 0.85 HSD11B1 (0.41) HSD11B1EPHX1P2RX7FAAHNPSR1
SCHEMBL8543192 0.85 HSD11B1 (0.54) HSD11B1EPHX1P2RX7ALDH1A1TSHR

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