SCHEMBL5158002

SCHEMBL5158002

O=C(O)C=CC=Cc1ccc(N2CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.64
ESR1 P03372 1/20 0.55
CTSL P07711 4/20 0.54
CTSB P07858 4/20 0.54
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 4/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
ACHE P22303 2/20 0.51
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
FGFR1 P11362 1/20 0.46
APP P05067 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX5 P09917 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL7452771 0.87 PTGS2 (0.77) PTGS2ESR1CTSLCTSBALDH1A1
SCHEMBL7452784 0.87 PTGS2 (0.77) PTGS2ESR1CTSLCTSBALDH1A1
SCHEMBL2025919 0.86 PTGS2 (0.62) PTGS2ESR1CTSLCTSBALDH1A1
SCHEMBL2025921 0.86 PTGS2 (0.62) PTGS2ESR1CTSLCTSBALDH1A1
SCHEMBL2028715 0.84 PTGS2 (0.64) PTGS2ESR1CTSLCTSBALDH1A1
SCHEMBL2028713 0.84 PTGS2 (0.64) PTGS2ESR1CTSLCTSBALDH1A1
SCHEMBL11244951 0.80 PTGS2 (0.96) PTGS2ESR1CTSLCTSBALDH1A1
SCHEMBL18694770 0.79 PTGS2 (0.71) PTGS2ESR1CTSLCTSBALDH1A1
SCHEMBL18694771 0.79 PTGS2 (0.71) PTGS2ESR1CTSLCTSBALDH1A1
SCHEMBL31671057 0.79 CTSL (0.62) PTGS2CTSLCTSBALDH1A1SMN1; SMN2

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
EP-1752191-A1 Agent for bleaching and/or colouring keratinic fibres with a coated alkaline agent Henkel Kommanditgesellschaft auf Aktien (DE) 2007-02-14 EP disclosed