SCHEMBL27733647

SCHEMBL27733647

CCC(=O)OC(c1cc2ccc(C(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.38
▸ HSD11B1 P28845 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ESR1 P03372 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BCL2A1 Q16548 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL27713329 0.92 AR (0.39) PTGDR2HSD11B1L3MBTL1ESR1NPSR1
SCHEMBL27733651 0.86 MMP2 (0.38) PTGDR2HSD11B1ESR1NPSR1MAPT
SCHEMBL28770872 0.85 PDGFRB (0.43) L3MBTL1TP53MAPTHPGDHSD17B10
SCHEMBL27713340 0.80 ATM (0.41) HPGDHSD17B10KDM4E
SCHEMBL27733871 0.80 KDM4E (0.44) ESR1MAPTKMT2AKDM4E
SCHEMBL27713298 0.80 GPR27 (0.34) NPSR1KMT2APPARGPPARA
SCHEMBL27733782 0.79 KDM4E (0.43) TP53HPGDRAB9AKMT2AHSD17B10
SCHEMBL27713332 0.78 MEN1 (0.42) MAPTRAB9AKMT2AKDM4E
SCHEMBL27713445 0.78 BCAT1 (0.45) NPSR1MAPTPPARG
SCHEMBL27713316 0.77 HRH3 (0.37) MAPTHPGDKMT2A

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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