SCHEMBL27713686

SCHEMBL27713686

C=CC(c1ccc2ccccc2c1)S(=O)(=O)n1c(C(C)C(=O)O)cc2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.41
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ AKR1C3 P42330 3/20 0.38
▸ AKR1C2 P52895 3/20 0.38
▸ ACLY P53396 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PHGDH O43175 3/20 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
SCHEMBL28775103 0.91 MEN1 (0.41) PPARGPSEN1PSEN2APH1BNCSTN
SCHEMBL27713457 0.91 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27733784 0.90 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27733756 0.89 PTGS1 (0.41) PPARGPSEN1PSEN2APH1BNCSTN
SCHEMBL27733711 0.88 PPARG (0.41) PPARGPSEN1PSEN2APH1BNCSTN
SCHEMBL27713338 0.86 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28770821 0.85 PTGS2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27733779 0.85 PTGS2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27713495 0.85 AKR1C3 (0.41) PPARGPSEN1PSEN2APH1BNCSTN
SCHEMBL28775092 0.84 AKR1C3 (0.39) PPARGPSEN1PSEN2APH1BNCSTN

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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