SCHEMBL4045043

SCHEMBL4045043

COc1ccc2oc(OC(=O)NC(CC3CC3)C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)Cc3ccccn3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSL P07711 13/20 0.32
CTSK P43235 11/20 0.32
CTSS P25774 9/20 0.32
CTSV O60911 4/20 0.32
CTSB P07858 4/20 0.32
F2 P00734 1/20 0.32
POLB P06746 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL4045921 0.93 HPGD (0.38) HPGDGAACTSLCTSKCTSS
SCHEMBL4048091 0.93 HPGD (0.38) HPGDGAAKDM4EALDH1A1L3MBTL1
SCHEMBL4048699 0.91 CTSK (0.40) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4051635 0.90 HPGD (0.37) HPGDGAAKDM4EALDH1A1L3MBTL1
SCHEMBL4050896 0.89 HPGD (0.34) HPGDGAAKDM4EALDH1A1CTSL
SCHEMBL4049417 0.89 CHRNB2 (0.40) HPGDALDH1A1
SCHEMBL4039519 0.86 CTSK (0.37) HPGDGAAKDM4EALDH1A1CTSL
SCHEMBL4051812 0.85 CTSK (0.43) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4043537 0.85 PIK3CG (0.37) HPGDKDM4EALDH1A1POLB
SCHEMBL4048824 0.85 CTSK (0.37) CTSLCTSKCTSSCTSVCTSB

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-2185938-B1 METHOD FOR RISK STRATIFICATION IN STABLE CORONARY ARTERY DISEASE BRAHMS GMBH (DE) 2012-11-21 EP disclosed
EP-2020603-A1 Method for risk stratification in stable coronary artery disease BRAHMS Aktiengesellschaft (DE) 2009-02-04 EP disclosed