SCHEMBL8148178

SCHEMBL8148178

CC(=O)OC1=C(C)C(=Cc2ccc(S(C)(=O)=O)cc2)c2ccc(N(C)C)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
EDNRA P25101 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
APP P05067 2/20 0.36
SNCA P37840 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.34
PTGS2 P35354 1/20 0.34
MIF P14174 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7638891 0.86 CYP1A2 (0.49) MAPTMAPK1TDP1CYP1A2GLA
SCHEMBL5712321 0.85 CYP1A2 (0.65) MAPTMAPK1TDP1CYP1A2GLA
SCHEMBL5712304 0.85 CYP1A2 (0.65) MAPTMAPK1TDP1CYP1A2GLA
SCHEMBL7636448 0.84 CYP1A2 (0.47) MAPTMAPK1TDP1CYP1A2GLA
SCHEMBL7637830 0.84 CYP1A2 (0.47) MAPTMAPK1TDP1CYP1A2GLA
SCHEMBL8154644 0.84 MAPT (0.46) MAPTMAPK1TDP1CYP1A2CYP3A4
SCHEMBL9404176 0.84 CYP1A2 (0.47) MAPTMAPK1TDP1CYP1A2GLA
SCHEMBL7631992 0.82 CYP1A2 (0.50) MAPTMAPK1TDP1CYP1A2GLA
SCHEMBL7632973 0.81 CYP1A2 (0.47) MAPTMAPK1TDP1CYP1A2GLA
SCHEMBL8148425 0.80 CYP1A2 (0.73) MAPTMAPK1TDP1CYP1A2GLA

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-6028116-A Substituted condensation products of 1H-indenyl-hydroxyalkanes with aldehydes for neoplasia CELL PATHWAYS, INC. (US) 2000-02-22 US disclosed