SCHEMBL8549754

SCHEMBL8549754

COC(=O)[C@H]1CC[C@H](NC(=O)c2cn(CCC3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FAAH O00519 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP30 Q70CQ3 2/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PARP1 P09874 1/20 0.39
EPHX1 P07099 1/20 0.39
MAPK1 P28482 1/20 0.39
PTPN2 P17706 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
SCHEMBL8551343 0.83 GPR119 (0.48) FAAHKDM4EPKMALDH1A1PTPN2
Hydrochloric Acid SCHEMBL8553733 0.82 SMYD3 (0.48) SMYD3ALDH1A1
SCHEMBL8548648 0.81 FAAH (0.47) FAAHKDM4EPKMPTPN2PTPN1
SCHEMBL8549891 0.78 L3MBTL1 (0.41) L3MBTL1FAAHPOLBKDM4EPKM
SCHEMBL8553074 0.77 L3MBTL1 (0.45) L3MBTL1FAAHPOLBKDM4EPKM
SCHEMBL8550086 0.76 ALDH1A1 (0.42) L3MBTL1FAAHKDM4EPKMALDH1A1
SCHEMBL8554518 0.75 L3MBTL1 (0.47) L3MBTL1FAAHPOLBKDM4EPKM
SCHEMBL8553358 0.73 LMNA (0.44) L3MBTL1FAAHPOLBKDM4EPKM
SCHEMBL9409552 0.71 KMT2A (0.51) POLBKDM4EPKMALDH1A1KMT2A
SCHEMBL57231 0.69 HPGD (0.62) POLBALDH1A1KMT2AEPHX1PTPN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed