SCHEMBL7930958

SCHEMBL7930958

CC(=O)OC1=C(C)C(=Cc2ccc([S+](C)[O-])cc2)c2cc(F)c(F)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.35
RXRA P19793 5/20 0.34
MAPT P10636 4/20 0.33
CYP1A2 P05177 3/20 0.33
MAPK1 P28482 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 2/20 0.33
PMP22 Q01453 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
EDNRA P25101 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
PTGS2 P35354 2/20 0.32
EGFR P00533 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
DRD1 P21728 1/20 0.32

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
SCHEMBL7639124 0.92 RET (0.34) PPARGRXRAMAPTMAPK1NPSR1
SCHEMBL7937486 0.91 MEN1 (0.33) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL5712317 0.89 PPARG (0.48) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL5712320 0.89 PPARG (0.48) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL7939964 0.85 PPARG (0.32) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL8681338 0.85 PPARG (0.38) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL7631425 0.85 PPARG (0.35) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL7632790 0.84 LRRK2 (0.38) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL7632675 0.84 PPARG (0.39) PPARGRXRAMAPTKMT2AMEN1
SCHEMBL7631992 0.83 CYP1A2 (0.50) MAPTCYP1A2MAPK1TDP1CYP3A4

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