SCHEMBL27884471

SCHEMBL27884471

CC(C)c1cccc(C=CCS(=O)(=O)n2c(Cc3ccc(C(=O)O)cc3)cc3cc(Cl)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 3/20 0.37
▸ PLA2G4A P47712 7/20 0.37
▸ PHGDH O43175 1/20 0.36
▸ PPARG P37231 6/20 0.36
▸ PPARA Q07869 5/20 0.36
▸ PPARD Q03181 4/20 0.36
▸ DHCR7 Q9UBM7 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ CCR2 P41597 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
SCHEMBL28797215 0.92 DHCR7 (0.41) ACLYPLA2G4APHGDHPPARGPPARA
SCHEMBL27867715 0.88 RORC (0.40) PPARGPPARAPPARDRORC
SCHEMBL27867758 0.87 ACLY (0.38) ACLYPLA2G4APPARGPPARAPPARD
SCHEMBL27884355 0.86 PPARG (0.44) ACLYPLA2G4APPARGPPARAPPARD
SCHEMBL27867731 0.86 CCR2 (0.43) ACLYPHGDHPPARGPPARAPPARD
SCHEMBL27884364 0.85 DHCR7 (0.42) ACLYPPARGPPARAPPARDDHCR7
SCHEMBL27867728 0.84 ACLY (0.39) ACLYPPARGPPARAPPARDDHCR7
SCHEMBL27833763 0.83 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL12096731 0.82 PPARG (0.52) ACLYPLA2G4APPARGPPARAPPARD
SCHEMBL28800067 0.80 RORC (0.40) PPARGPPARAPPARDDHCR7RORC

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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