SCHEMBL28810371

SCHEMBL28810371

CC(C)(C)c1cccc(C=CCS(=O)(=O)n2c(Cc3ccc(C(=O)O)cc3)cc3ccc(C(F)(F)F)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NLRP3 Q96P20 4/20 0.36
▸ PPARG P37231 1/20 0.36
▸ SRD5A2 P31213 2/20 0.36
▸ RORC P51449 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ P4HB P07237 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ PTGER4 P35408 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NR4A2 P43354 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
SCHEMBL27936024 0.94 PPARG (0.39) MEN1NPC1RAB9AKMT2ANLRP3
Piperazine SCHEMBL27950239 0.89 PPARG (0.36) MEN1NPC1RAB9AKMT2ANLRP3
SCHEMBL27936028 0.89 RXRA (0.36) PPARG
SCHEMBL27884360 0.87 PPARG (0.38) MEN1NPC1RAB9AKMT2ANLRP3
SCHEMBL27950252 0.86 PPARG (0.38) MEN1KMT2APPARGRORCNR4A2
SCHEMBL27950245 0.85 PPARG (0.35) PPARGSRD5A2
SCHEMBL27936027 0.85 PPARG (0.39) NLRP3PPARGSRD5A2RORC
SCHEMBL27936050 0.84 PPARG (0.37) NLRP3PPARGRORCALDH1A1
SCHEMBL28807363 0.84 PPARG (0.35) PPARGRORCMAOBALDH1A1
SCHEMBL27936025 0.84 PPARG (0.36) NLRP3PPARGRORCP4HB

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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