SCHEMBL7937486

SCHEMBL7937486

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
PPARG P37231 2/20 0.32
MAPT P10636 4/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
RXRA P19793 1/20 0.31
PKM P14618 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
EDNRA P25101 1/20 0.30
MAPK1 P28482 1/20 0.30
PMP22 Q01453 1/20 0.30
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL7930958 0.91 PPARG (0.35) MEN1KMT2APPARGMAPTALDH1A1
SCHEMBL7939964 0.87 PPARG (0.32) MEN1KMT2APPARGMAPTRXRA
SCHEMBL8681338 0.87 PPARG (0.38) MEN1KMT2APPARGMAPTALDH1A1
SCHEMBL5712317 0.86 PPARG (0.48) MEN1KMT2APPARGMAPTALDH1A1
SCHEMBL5712320 0.86 PPARG (0.48) MEN1KMT2APPARGMAPTALDH1A1
SCHEMBL7632790 0.86 LRRK2 (0.38) PPARGMAPTRXRACYP3A4CYP1A2
SCHEMBL7632675 0.85 PPARG (0.39) MEN1KMT2APPARGMAPTRXRA
SCHEMBL7639124 0.85 RET (0.34) KMT2APPARGMAPTALDH1A1RXRA
SCHEMBL9710902 0.85 PPARG (0.42) MEN1KMT2APPARGMAPTALDH1A1
SCHEMBL7636448 0.82 CYP1A2 (0.47) MAPTCYP3A4CYP1A2GLATSHR

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