SCHEMBL8553647

SCHEMBL8553647

COC(=O)CCN1CCC(NC(=O)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 4/20 0.41
EPHX1 P07099 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL8590974 0.91 L3MBTL1 (0.44) LMNATHRBL3MBTL1POLBTP53
SCHEMBL8549545 0.88 L3MBTL1 (0.43) LMNATHRBL3MBTL1POLBEPHX1
SCHEMBL8551331 0.84 POLB (0.43) LMNATHRBL3MBTL1POLBEPHX1
Hydrochloric Acid SCHEMBL8592818 0.82 SMYD3 (0.41)
SCHEMBL8552358 0.82 GLS (0.46)
SCHEMBL8553949 0.80 LMNA (0.45) LMNATHRBTP53MAPT
SCHEMBL8625016 0.79 KDM4E (0.49) LMNATP53MAPT
SCHEMBL8550488 0.77 KDM4E (0.44) THRBEPHX1MAPT
SCHEMBL8553067 0.76 GLS (0.38) THRBTP53MAPT
SCHEMBL8553020 0.75 THRB (0.46) THRBPOLBEPHX1MAPT

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