SCHEMBL9827313

SCHEMBL9827313

CCCCCCCCCCc1ccc(NC(=O)c2cccc(-c3ccccc3)c2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.58
PLAT P00750 1/20 0.58
TRPV1 Q8NER1 1/20 0.53
PLK1 P53350 5/20 0.52
PLK3 Q9H4B4 3/20 0.52
NR1H4 Q96RI1 1/20 0.52
SPHK1 Q9NYA1 3/20 0.51
ALOX15 P16050 2/20 0.51
THRA P10827 3/20 0.50
THRB P10828 3/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
S1PR1 P21453 1/20 0.48

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
SCHEMBL19142120 0.87 CHRNB2 (0.64) TRPV1NR1H4CHRNB2CHRNB4CHRNA3
SCHEMBL9826537 0.83 ALOX15 (0.72) TRPV1PLK1PLK3ALOX15THRA
SCHEMBL543491 0.83 RARB (0.57) PLK1PLK3
SCHEMBL29229439 0.79 TRPV1 (0.56) TRPV1PLK1PLK3SPHK1ALOX15
SCHEMBL7160756 0.78 ABCG2 (0.59) PLK1PLK3THRATHRB
SCHEMBL9827917 0.78 ACLY (0.60) ALOX15THRATHRB
SCHEMBL4160309 0.77 HNF4A (0.59)
SCHEMBL13181181 0.77 TRPV1 (0.81) TRPV1PLK1PLK3THRATHRB
SCHEMBL19141806 0.77 CHRNB2 (0.64) PLAUPLATNR1H4ALOX15CHRNB2
SCHEMBL7190666 0.76 TRPV1 (0.61) TRPV1ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221346-B1 (N-SUBSTITUTED-2-HYDROXY) BENZAMIDES AND N-SUBSTITUTED-2-HYDROXY-ALPHA-OXO-BENZENEACETAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF HAVING ACTIVITY AS MODULATORS OF THE ARACHIDONIC ACID CASCADE WARNER-LAMBERT COMPANY (US) 1991-01-30 EP disclosed
US-4939133-A N-substituted-2-hydroxy-α-oxo-benzeneacetamides and pharmaceutical compositions having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1990-07-03 US disclosed
EP-0221346-A1 (N-substituted-2-hydroxy) benzamides and N-substituted-2-hydroxy-alpha-oxo-benzeneacetamides and pharmaceutical compositions thereof having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed