SCHEMBL28770838

SCHEMBL28770838

C=CC(c1ccc2c(c1)CCN2)S(=O)(=O)n1c(C(CC)C(=O)O)cc2cc(Cl)ccc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ATM Q13315 1/20 0.32
▸ PPARG P37231 4/20 0.31
▸ PPARD Q03181 3/20 0.31
▸ PPARA Q07869 3/20 0.31
▸ ACHE P22303 2/20 0.30
▸ PHGDH O43175 3/20 0.30

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
SCHEMBL27733705 0.89 PSEN1 (0.34) ALDH1A1GAAMAPTTSHRATM
SCHEMBL27713774 0.89 ALDH1A1 (0.34) ALDH1A1GAAMAPTTSHRATM
SCHEMBL27733849 0.84 PPARG (0.36) MAPTPPARGPPARDPPARA
SCHEMBL27733852 0.84 PSEN1 (0.39) PPARGPPARDPPARAPHGDH
SCHEMBL27713300 0.83 NOTUM (0.45) ALDH1A1GAAMAPTTSHR
SCHEMBL27733711 0.82 PPARG (0.41) PPARGPPARDPPARAPHGDH
SCHEMBL27733699 0.81 DAGLA (0.35) MAPTPPARGPPARDPPARA
SCHEMBL27733696 0.81 PTGS1 (0.40) ALDH1A1MAPTTSHRPPARGPPARD
SCHEMBL27733841 0.81 F7 (0.36) PPARGPPARDPPARAPHGDH
SCHEMBL27833766 0.81 PHGDH (0.38) TSHRPPARGPPARDPPARAPHGDH

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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