SCHEMBL7939964

SCHEMBL7939964

CC(=O)OC1=C(C)C(=Cc2ccc([S+](C)[O-])cc2)c2cc(S)ccc21

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXRA P19793 1/20 0.32
CYP1A2 P05177 2/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
EDNRA P25101 1/20 0.31
MAPK1 P28482 1/20 0.31
PMP22 Q01453 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C9 P11712 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
SCHEMBL7937486 0.87 MEN1 (0.33) PPARGMEN1KMT2ARXRACYP1A2
SCHEMBL7930958 0.85 PPARG (0.35) PPARGMEN1KMT2ARXRACYP1A2
SCHEMBL8681338 0.84 PPARG (0.38) PPARGMEN1KMT2ARXRACYP1A2
SCHEMBL7632790 0.83 LRRK2 (0.38) PPARGRXRACYP1A2GLACYP3A4
SCHEMBL5712317 0.83 PPARG (0.48) PPARGMEN1KMT2ARXRACYP1A2
SCHEMBL5712320 0.83 PPARG (0.48) PPARGMEN1KMT2ARXRACYP1A2
SCHEMBL7632973 0.83 CYP1A2 (0.47) PPARGCYP1A2GLACYP3A4MAPT
SCHEMBL7632675 0.83 PPARG (0.39) PPARGMEN1KMT2ARXRAMAPT
SCHEMBL9710902 0.82 PPARG (0.42) PPARGMEN1KMT2ARXRACYP1A2
SCHEMBL7639124 0.80 RET (0.34) PPARGKMT2ARXRAMAPTMAPK1

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-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