SCHEMBL27713329

SCHEMBL27713329

CCC(=O)OC(c1cc2cc(C(F)(F)F)ccc2[nH]1)S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.37
▸ HSD11B1 P28845 2/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ CTNNB1 P35222 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ XBP1 P17861 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
SCHEMBL27733651 0.92 MMP2 (0.38) PTGDR2HSD11B1PPARGPPARAESR1
SCHEMBL27733647 0.92 PTGDR2 (0.38) PTGDR2HSD11B1PPARGPPARAL3MBTL1
SCHEMBL27713340 0.86 ATM (0.41) ARPDGFRBPDGFRAALDH1A1LMNA
SCHEMBL27733871 0.86 KDM4E (0.44) PDGFRBPDGFRAESR1MAPTKMT2A
SCHEMBL27733782 0.85 KDM4E (0.43) PDGFRBPDGFRAMEN1NPC1ALDH1A1
SCHEMBL28770872 0.85 PDGFRB (0.43) PDGFRBPDGFRAL3MBTL1ALDH1A1LMNA
SCHEMBL27713445 0.84 BCAT1 (0.45) HRH4PPARGPDGFRBPDGFRANPSR1
SCHEMBL27713332 0.84 MEN1 (0.42) HRH4EGFRMEN1NPC1ALDH1A1
SCHEMBL27713316 0.83 HRH3 (0.37) HRH4PDGFRBPDGFRACTNNB1MEN1
SCHEMBL27733691 0.82 ELANE (0.41) PDGFRBPDGFRAL3MBTL1CTNNB1MEN1

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
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