SCHEMBL27733673

SCHEMBL27733673

CCC(=O)OCc1cc2ccc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
GSK3B P49841 1/20 0.39
MPL P40238 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KIF11 P52732 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MAOB P27338 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL27713342 0.90 HRH4 (0.44) NR3C1ALDH1A1GAAL3MBTL1MEN1
SCHEMBL24380299 0.77 KIF11 (0.45) NR3C1PGRNR3C2ALDH1A1MEN1
SCHEMBL3526963 0.77 MTNR1A (0.45) NR3C1PGRNR3C2GSK3BALDH1A1
SCHEMBL27733721 0.75 KDM4E (0.47) NR3C1PGRNR3C2ALDH1A1KDM4E
SCHEMBL23932536 0.74 METAP2 (0.45) NR3C1PGRNR3C2MPLKIF11
SCHEMBL3422658 0.74 PTGDR2 (0.46) NR3C1PGRNR3C2MPLALDH1A1
SCHEMBL2139103 0.74 ALOX15 (0.65) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL29619390 0.74 ALOX15 (0.65) ALDH1A1GAAL3MBTL1MEN1KMT2A
Lithium Ion SCHEMBL3422654 0.73 NR3C1 (0.40) NR3C1PGRNR3C2MPLKIF11
SCHEMBL27713368 0.73 ALDH1A1 (0.35) ALDH1A1GAAMEN1KMT2AKDM4E

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
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 CN disclosed