SCHEMBL8553358

SCHEMBL8553358

COC(=O)[C@H]1CC[C@H](NC(=O)c2sc(CCC3CCN(C(=O)OC(C)(C)C)CC3)nc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
GAA P10253 1/20 0.44
GLS O94925 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
EPHX2 P34913 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HDAC4 P56524 1/20 0.38
THRB P10828 1/20 0.37
MAPT P10636 1/20 0.37
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 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
SCHEMBL8552715 0.84 LMNA (0.47) LMNAGAAKDM4EFAAHALDH1A1
SCHEMBL8552717 0.84 LMNA (0.47) LMNAGAAKDM4EFAAHALDH1A1
SCHEMBL8553074 0.83 L3MBTL1 (0.45) LMNAGLSL3MBTL1POLBEPHX1
SCHEMBL8554046 0.82 LMNA (0.42) LMNAGAAKDM4EALDH1A1
SCHEMBL8554049 0.82 LMNA (0.42) LMNAGAAKDM4EALDH1A1
SCHEMBL1899913 0.76 LMNA (0.53) LMNAGAAL3MBTL1POLBEPHX1
SCHEMBL8549891 0.73 L3MBTL1 (0.41) GLSL3MBTL1POLBEPHX1KDM4E
SCHEMBL8549754 0.73 SMYD3 (0.45) L3MBTL1POLBEPHX1KDM4EPKM
Hydrochloric Acid SCHEMBL8627559 0.72 LMNA (0.43) LMNAGAAKDM4EALDH1A1
SCHEMBL8626111 0.71 GLS (0.41) GLSKDM4EPKMMAPTFAAH

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