SCHEMBL27884265

SCHEMBL27884265

C=CC(c1ccc2c(c1)OCCO2)S(=O)(=O)n1c(Cc2ccc(C(=O)O)cc2)cc2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.41
▸ PPARD Q03181 4/20 0.41
▸ PPARA Q07869 4/20 0.41
▸ ACLY P53396 3/20 0.37
▸ GCGR P47871 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PHGDH O43175 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ ALOX5 P09917 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
SCHEMBL28797216 0.86 PHGDH (0.41) PPARGPPARDPPARAACLYPHGDH
SCHEMBL27884356 0.85 PPARG (0.43) PPARGPPARDPPARAACLYPHGDH
SCHEMBL27884365 0.85 ACLY (0.40) PPARGPPARDPPARAACLYPHGDH
SCHEMBL27867729 0.84 ACLY (0.38) PPARGPPARDPPARAACLYKMT2A
SCHEMBL28800052 0.84 ACLY (0.43) PPARGPPARDPPARAACLYPHGDH
SCHEMBL27867737 0.83 SSTR5 (0.35) PPARGPPARDPPARAACLYPHGDH
SCHEMBL27867735 0.83 ACLY (0.42) PPARGPPARDPPARAACLYPHGDH
SCHEMBL27884472 0.83 PHGDH (0.39) PPARGPPARDPPARAACLYPHGDH
SCHEMBL27867759 0.82 ACLY (0.38) PPARGPPARDPPARAACLYPHGDH
SCHEMBL12096651 0.81 PPARG (0.61) PPARGPPARDPPARAACLYALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102596906-A Use of indole derivatives as NURR-1 activators as agents for the treatment of Parkinson's disease FOURNIER LAB SA 2012-07-18 — — CN disclosed
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