SCHEMBL6770927

SCHEMBL6770927

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
HSP90AA1 P07900 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6775212 0.83 MAPK1 (0.40) POLBHPGDMAPK1MAPTALDH1A1
SCHEMBL6775215 0.83 MAPK1 (0.40) POLBHPGDMAPK1MAPTALDH1A1
SCHEMBL6770838 0.83 PPARG (0.41) POLBHPGDMAPK1MAPTALDH1A1
SCHEMBL7220490 0.82 KDM4E (0.40) POLBHPGDMAPTALDH1A1PPARG
SCHEMBL7220487 0.82 KDM4E (0.40) POLBHPGDMAPTALDH1A1PPARG
SCHEMBL6770258 0.82 POLB (0.44) POLBHPGDMAPK1MAPTALDH1A1
SCHEMBL6770263 0.82 POLB (0.44) POLBHPGDMAPK1MAPTALDH1A1
SCHEMBL6770835 0.76 KMT2A (0.42) POLBHPGDMAPK1MAPTALDH1A1
SCHEMBL6776366 0.76 KMT2A (0.42) POLBHPGDMAPK1MAPTALDH1A1
SCHEMBL6776432 0.76 PPARG (0.39) POLBHPGDMAPK1MAPTALDH1A1

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