SCHEMBL9826446

SCHEMBL9826446

CC(C)(C)c1cccc(C(=O)C(=O)Nc2ccc(CCc3ccc(O)c(O)c3)cc2)c1O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 11/20 0.56
▸ CCR5 P51681 4/20 0.46
▸ PLG P00747 2/20 0.41
▸ KLK1 P06870 2/20 0.41
▸ KLK6 Q92876 2/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL9828478 0.85 THRB (0.48) KLKB1NR1H4NPC1RAB9A
SCHEMBL9826484 0.81 ALOX15 (0.76) ALOX15CCR5NPC1RAB9A
SCHEMBL9826900 0.71 ALOX15 (1.00) ALOX15CCR5NPC1RAB9A
SCHEMBL10384541 0.70 ALOX15 (0.56) ALOX15KLKB1NPC1RAB9A
SCHEMBL10412027 0.69 ALOX15 (0.54) ALOX15CCR5
SCHEMBL28580133 0.69 MEN1 (0.56) NR1H4
SCHEMBL9826567 0.68 THRB (0.54) ALOX15NPC1RAB9A
SCHEMBL10385051 0.67 ALOX15 (0.49) ALOX15CCR5
Hydrochloric Acid SCHEMBL28559566 0.67 MEN1 (0.53) NR1H4
SCHEMBL8805555 0.66 GAA (0.50) NPC1RAB9A

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 6 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 claimed
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 claimed
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 claimed
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
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