SCHEMBL8553020

SCHEMBL8553020

CC(C)(C)OC(=O)N1CCC(c2nnc(C(=O)O)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR119 Q8TDV5 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
GLS O94925 1/20 0.43
HPGDS O60760 1/20 0.41
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
STS P08842 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 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
SCHEMBL8550488 0.88 KDM4E (0.44) THRBKDM4EMAPTHPGDGPR119
SCHEMBL31704512 0.84 ALDH1A1 (0.48) THRBKDM4EMAPTMEN1HPGD
SCHEMBL31169229 0.84 THRB (0.48) THRBKDM4EMAPTHPGDKMT2A
SCHEMBL26450489 0.83 GPR119 (0.53) THRBKDM4EMAPTHPGDGPR119
SCHEMBL31705064 0.81 QDPR (0.42) KDM4EHSD17B10POLB
SCHEMBL9408057 0.79 GPR119 (0.52) THRBMEN1HPGDKMT2AUSP2
SCHEMBL3327723 0.78 L3MBTL1 (0.48) THRBKDM4EMAPTMEN1HPGD
SCHEMBL23791309 0.77 MAPT (0.43) THRBKDM4EMAPTMEN1HPGD
SCHEMBL31705865 0.77 HPGD (0.40) MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL8590974 0.76 L3MBTL1 (0.44) THRBMAPTMEN1KMT2AEPHX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed
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