SCHEMBL8549545

SCHEMBL8549545

COC(=O)CC[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 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
EPHX1 P07099 1/20 0.40
GLS O94925 2/20 0.39
SMYD3 Q9H7B4 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
MAPT P10636 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
SCHEMBL8553647 0.88 LMNA (0.43) L3MBTL1POLBLMNATHRBEPHX1
SCHEMBL8551331 0.86 POLB (0.43) L3MBTL1POLBLMNATHRBEPHX1
SCHEMBL8590974 0.86 L3MBTL1 (0.44) L3MBTL1POLBLMNATHRBEPHX1
SCHEMBL8624368 0.84 GPR119 (0.39) GLS
Hydrochloric Acid SCHEMBL8594144 0.81 SMYD3 (0.38) SMYD3MEN1KMT2AALDH1A1
SCHEMBL9409500 0.79 HDAC4 (0.48) L3MBTL1POLBLMNATHRBKMT2A
SCHEMBL8550488 0.78 KDM4E (0.44) THRBEPHX1GLSKDM4EALDH1A1
SCHEMBL8625016 0.78 KDM4E (0.49) LMNAGLSMEN1KMT2AKDM4E
SCHEMBL8553067 0.77 GLS (0.38) THRBGLSKDM4EALDH1A1MAPT
SCHEMBL8551323 0.76 GPR119 (0.43) LMNATHRB

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