SCHEMBL8551331

SCHEMBL8551331

COC(=O)CO[C@H]1CC[C@H](NC(=O)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.39
EPHX1 P07099 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PARP1 P09874 1/20 0.38
GLS O94925 1/20 0.37
GPR119 Q8TDV5 2/20 0.37

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
SCHEMBL8549545 0.86 L3MBTL1 (0.43) POLBLMNATHRBL3MBTL1MAPT
SCHEMBL8590974 0.85 L3MBTL1 (0.44) POLBLMNATHRBL3MBTL1MAPT
SCHEMBL8553647 0.84 LMNA (0.43) POLBLMNATHRBL3MBTL1MAPT
Hydrochloric Acid SCHEMBL8553192 0.80 SMYD3 (0.36) POLBMEN1KMT2AALDH1A1
SCHEMBL8553067 0.78 GLS (0.38) THRBMAPTKDM4EALDH1A1GLS
SCHEMBL8550488 0.77 KDM4E (0.44) THRBMAPTEPHX1KDM4EALDH1A1
SCHEMBL3142012 0.76 EPHX1 (0.49) L3MBTL1MAPTEPHX1KDM4EALDH1A1
SCHEMBL8625016 0.75 KDM4E (0.49) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL8553020 0.75 THRB (0.46) POLBTHRBMAPTEPHX1MEN1
SCHEMBL31704512 0.74 ALDH1A1 (0.48) POLBLMNATHRBL3MBTL1MAPT

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