SCHEMBL7979813

SCHEMBL7979813

OC(COC1CCCCO1)Cc1nccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 2/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL25269533 0.80 CHRM2 (0.49) MEN1KMT2AKDM4CCHRM2CHRM1
SCHEMBL7980863 0.76 KDM4C (0.45) FDPSMEN1KMT2AKDM4CL3MBTL1
SCHEMBL9679186 0.75 MEN1 (0.39) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL17846160 0.73 MEN1 (0.41) MEN1KMT2AKDM4CLMNA
SCHEMBL4444058 0.71 MEN1 (0.37) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL7979718 0.70 FDPS (0.42) FDPS
SCHEMBL13616739 0.70 MEN1 (0.36) MEN1KMT2AKDM4CKDM4ELMNA
SCHEMBL25240815 0.70 MEN1 (0.36) MEN1KMT2AKDM4CL3MBTL1HTT
SCHEMBL8973374 0.70 MEN1 (0.36) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL8973716 0.70 MEN1 (0.36) MEN1KMT2AKDM4CL3MBTL1NPC1

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-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed