SCHEMBL8345283

SCHEMBL8345283

Cc1ccc([S+]([O-])N[C@@H](COCc2ccccc2C)C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
TACR1 P25103 1/20 0.36
FOLH1 Q04609 1/20 0.35
PPARA Q07869 3/20 0.35
CTSS P25774 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 2/20 0.34
SLC1A5 Q15758 1/20 0.34
MME P08473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6664653 0.78 MMP2 (0.52) MEN1KMT2AALDH1A1
SCHEMBL6666012 0.78 MMP2 (0.52) MEN1KMT2AALDH1A1
SCHEMBL24440592 0.75 MMP9 (0.47) PPARAL3MBTL1PPARGMMEALDH1A1
SCHEMBL5001271 0.71 PPARA (0.67) PPARACTSSLMNAPPARGALDH1A1
SCHEMBL5001274 0.71 PPARA (0.67) PPARACTSSLMNAPPARGALDH1A1
SCHEMBL20546110 0.69 ATM (0.39) KDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL19248953 0.69 POLB (0.43) MEN1KMT2ALMNAMMEALDH1A1
Hydrochloric Acid SCHEMBL6667478 0.68 SLC1A5 (0.52) KDM4ETACR1PPARAMAOBPPARG
SCHEMBL6663760 0.68 PPARA (0.44) FOLH1PPARACTSSLMNAPPARG
SCHEMBL19015871 0.67 CYP1A2 (0.41) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004014882-A2 PROTEASOME INHIBITORS : PEPTIDE DERIVATIVES HAVING C-TERMINAL HETEROARYL GROUPS AXYS PHARMACEUTICALS (US) 2004-02-19 WO disclosed