SCHEMBL27713457

SCHEMBL27713457

C=CC(c1ccc(C(C)C)cc1)S(=O)(=O)n1c(C(C)C(=O)O)cc2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.46
▸ PSEN2 P49810 1/20 0.46
▸ APH1B Q8WW43 1/20 0.46
▸ NCSTN Q92542 1/20 0.46
▸ APH1A Q96BI3 1/20 0.46
▸ PSENEN Q9NZ42 1/20 0.46
▸ PHGDH O43175 4/20 0.39
▸ PTGS2 P35354 4/20 0.38
▸ FABP4 P15090 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ABCC4 O15439 1/20 0.36
▸ C5 P01031 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ ACLY P53396 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
SCHEMBL27733784 0.97 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28775103 0.94 MEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27713338 0.93 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28770821 0.92 PTGS2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27713495 0.91 AKR1C3 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27713686 0.91 PPARG (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28775092 0.90 AKR1C3 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27733659 0.90 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27733756 0.89 PTGS1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27733852 0.88 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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
Send feedback