SCHEMBL7937481

SCHEMBL7937481

CC1=C(CC(=O)O)c2cc(C)c(C)cc2C1=Cc1ccc([S+](C)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.56
RXRA P19793 6/20 0.52
CYP1A2 P05177 3/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP3A4 P08684 2/20 0.52
PMP22 Q01453 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GLA P06280 1/20 0.52
TSHR P16473 1/20 0.52
EDNRA P25101 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PTGS2 P35354 2/20 0.50
EGFR P00533 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
DRD1 P21728 1/20 0.50
PTGS1 P23219 1/20 0.50
OPRM1 P35372 1/20 0.50

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
SCHEMBL8681357 0.91 PPARG (0.60) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL7630930 0.91 PPARG (0.60) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL2222002 0.91 PPARG (0.60) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL2220382 0.88 PPARG (0.60) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL11725365 0.88 PPARG (0.58) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL6358738 0.88 PPARG (0.58) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL7939961 0.88 PPARG (0.54) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL15108977 0.88 PPARG (0.73) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL19799190 0.88 PPARG (0.73) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL11853644 0.88 PPARG (0.51) PPARGRXRACYP1A2MAPTMAPK1

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
US-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed
EP-0485172-A2 Esters and amides of substituted indenyl acetic acids FGN, INC. (US) 1992-05-13 EP disclosed