SCHEMBL27950246

SCHEMBL27950246

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ RXRA P19793 3/20 0.34
▸ RXRB P28702 2/20 0.34
▸ CCR9 P51686 1/20 0.33
▸ RORC P51449 3/20 0.32
▸ SRD5A2 P31213 1/20 0.32
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ NR1H4 Q96RI1 3/20 0.32
▸ PPARD Q03181 1/20 0.31
▸ PLA2G4A P47712 1/20 0.31

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
SCHEMBL27950241 0.91 MAPT (0.35) PPARGPPARARORC
SCHEMBL27936029 0.91 RXRA (0.36) PPARGRXRARXRBCCR9RORC
SCHEMBL28947564 0.82 RORC (0.39) PPARGPPARARORCPPARD
SCHEMBL12096889 0.81 PPARG (0.50) PPARGPPARARXRARXRBCCR9
SCHEMBL27884472 0.80 PHGDH (0.39) PPARGPPARARXRARXRBRORC
SCHEMBL28807361 0.79 PPARG (0.36) PPARGPPARARORCPPARD
SCHEMBL27867759 0.78 ACLY (0.38) PPARGPPARAPPARDPLA2G4A
SCHEMBL27950245 0.78 PPARG (0.35) PPARGPPARARXRARXRBCCR9
SCHEMBL27950250 0.77 RORC (0.36) PPARGRORC
SCHEMBL27867729 0.77 ACLY (0.38) PPARGPPARAPPARDPLA2G4A

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-103554006-A Use of indole derivatives as nurr-1 activators for the application thereof as a medicament for the treatment of parkinson's disease FOURNIER LAB SA 2014-02-05 — — CN disclosed
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