SCHEMBL8553074

SCHEMBL8553074

COC(=O)[C@H]1CC[C@H](NC(=O)c2cnc(CCC3CCN(C(=O)OC(C)(C)C)CC3)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.43
GLS O94925 2/20 0.42
FAAH O00519 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
USP30 Q70CQ3 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
EPHX1 P07099 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL8553358 0.83 LMNA (0.44) L3MBTL1POLBGLSFAAHKDM4E
SCHEMBL8550434 0.82 ITGB3 (0.38)
SCHEMBL8618357 0.81 GLS (0.48) GLSFAAHKDM4EPKMGPR119
SCHEMBL8549754 0.77 SMYD3 (0.45) L3MBTL1POLBFAAHKDM4EPKM
SCHEMBL8549891 0.74 L3MBTL1 (0.41) L3MBTL1POLBGLSFAAHKDM4E
SCHEMBL9409552 0.71 KMT2A (0.51) POLBKDM4EPKMALDH1A1KMT2A
SCHEMBL8626111 0.70 GLS (0.41) GLSFAAHKDM4EPKMALDH1A1
SCHEMBL30779406 0.70 GPR119 (0.45) GLSFAAHKDM4EPKMUSP30
SCHEMBL30779497 0.70 GPR119 (0.45) GLSFAAHKDM4EPKMUSP30
SCHEMBL30779407 0.70 GPR119 (0.45) GLSFAAHKDM4EPKMUSP30

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