SCHEMBL27884472

SCHEMBL27884472

C=CC(c1cccc(C(C)C)c1)S(=O)(=O)n1c(Cc2ccc(C(=O)O)cc2)cc2cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.39
▸ ACLY P53396 3/20 0.38
▸ PLA2G4A P47712 7/20 0.38
▸ PPARG P37231 6/20 0.37
▸ PPARA Q07869 5/20 0.37
▸ PPARD Q03181 4/20 0.37
▸ RORC P51449 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35

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 0.93 PHGDH (0.41) PHGDHACLYPLA2G4APPARGPPARA
SCHEMBL27867759 0.89 ACLY (0.38) PHGDHACLYPLA2G4APPARGPPARA
SCHEMBL27884356 0.89 PPARG (0.43) PHGDHACLYPLA2G4APPARGPPARA
SCHEMBL27867732 0.87 CCR2 (0.45) PHGDHACLYPPARGPPARAPPARD
SCHEMBL27884365 0.87 ACLY (0.40) PHGDHACLYPLA2G4APPARGPPARA
SCHEMBL27867729 0.86 ACLY (0.38) PHGDHACLYPLA2G4APPARGPPARA
SCHEMBL28800052 0.86 ACLY (0.43) PHGDHACLYPLA2G4APPARGPPARA
SCHEMBL12096731 0.83 PPARG (0.52) ACLYPLA2G4APPARGPPARAPPARD
SCHEMBL27867735 0.83 ACLY (0.42) PHGDHACLYPLA2G4APPARGPPARA
SCHEMBL27884317 0.83 ACLY (0.40) ACLYPLA2G4APPARGPPARAPPARD

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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