SCHEMBL6770838

SCHEMBL6770838

Cc1oc(-c2ccc3c(c2)OCO3)nc1Cc1ccc(CC=CS(=O)(=O)CC(=O)O)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 2/20 0.38
PTPN1 P18031 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
TGFBR1 P36897 3/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6770927 0.83 POLB (0.45) PPARGPPARAKMT2AMAPK1HPGD
SCHEMBL6775212 0.83 MAPK1 (0.40) PPARGPPARAKMT2AMAPK1HPGD
SCHEMBL6775215 0.83 MAPK1 (0.40) PPARGPPARAKMT2AMAPK1HPGD
SCHEMBL6776366 0.82 KMT2A (0.42) PPARGPPARAKMT2AMAPK1HPGD
SCHEMBL6770835 0.82 KMT2A (0.42) PPARGPPARAKMT2AMAPK1HPGD
SCHEMBL6770258 0.78 POLB (0.44) PPARGPPARAKMT2AMAPK1HPGD
SCHEMBL6770263 0.78 POLB (0.44) PPARGPPARAKMT2AMAPK1HPGD
SCHEMBL6776432 0.75 PPARG (0.39) PPARGPPARAKMT2AMAPK1HPGD
SCHEMBL6775206 0.75 PPARG (0.39) PPARGPPARAKMT2AMAPK1HPGD
SCHEMBL6774696 0.73 MAPK1 (0.39) PPARGPPARAKMT2AMAPK1HPGD

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
US-6821994-B2 A PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR REGULATOR, AN OXAZOL-4-YL-METHYLFURAN-2-YL-2-PROPENYLTHIO- OR SULFONYL- OR SULFINYL-ACETIC ACID OR METHYL ESTER ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-23 US claimed