SCHEMBL6721138

SCHEMBL6721138

COc1cccc(C2=C/C(=C\c3ccc(F)cc3)CCC2C[N+](C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.39
HSP90AA1 P07900 1/20 0.35
CCR6 P51684 1/20 0.35
EGFR P00533 1/20 0.34
NPY5R Q15761 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A3 P47895 1/20 0.32
TP53 P04637 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL6727332 1.00 NFE2L2 (0.39) NFE2L2HSP90AA1CCR6EGFRNPY5R
SCHEMBL6718870 0.90 HSP90AA1 (0.35) NFE2L2HSP90AA1CCR6EGFRMEN1
SCHEMBL6683488 0.86 HSP90AA1 (0.48) NFE2L2HSP90AA1CCR6EGFRNPY5R
SCHEMBL6727331 0.86 HSP90AA1 (0.48) NFE2L2HSP90AA1CCR6EGFRNPY5R
SCHEMBL6677339 0.86 HSP90AA1 (0.48) NFE2L2HSP90AA1CCR6EGFRNPY5R
SCHEMBL6677987 0.86 HSP90AA1 (0.48) NFE2L2HSP90AA1CCR6EGFRNPY5R
SCHEMBL6721137 0.86 HSP90AA1 (0.48) NFE2L2HSP90AA1CCR6EGFRNPY5R
SCHEMBL6727391 0.84 NFE2L2 (0.38) NFE2L2HSP90AA1CCR6EGFRNPY5R
SCHEMBL6718866 0.76 CCR6 (0.48) NFE2L2HSP90AA1CCR6EGFR
SCHEMBL6677991 0.76 CCR6 (0.48) NFE2L2HSP90AA1CCR6EGFR

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
US-6673794-B2 ANALGESICS, INCOTINENCE, SKIN DISORDERS, ANTIINFLAMMATORY AGENTS GRUENENTHAL GMBH (DE) 2004-01-06 US claimed