SCHEMBL9827322

SCHEMBL9827322

CC(C)(C)NC(=O)C(=O)c1ccccc1O.COc1ccc(C(=O)Nc2ccc(CCc3ccc(O)c(O)c3)cc2)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 10/20 0.61
▸ KLKB1 P03952 1/20 0.53
▸ PNLIP P16233 3/20 0.52
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL9826824 0.85 ALOX15 (0.75) ALOX15KLKB1PNLIPMEN1NPC1
SCHEMBL9826900 0.78 ALOX15 (1.00) ALOX15MEN1NPC1RAB9AKMT2A
SCHEMBL9826484 0.76 ALOX15 (0.76) ALOX15NPC1RAB9A
SCHEMBL9826705 0.72 ALOX15 (0.69) ALOX15KLKB1PNLIPMEN1NPC1
SCHEMBL14289118 0.72 KLKB1 (0.72) ALOX15KLKB1PNLIPABCG2MEN1
SCHEMBL5080078 0.71 PNLIP (0.91) PNLIPMEN1NPC1RAB9AKMT2A
SCHEMBL9826365 0.71 ALOX15 (1.00) ALOX15KLKB1NPC1RAB9ALMNA
SCHEMBL9827298 0.71 KLKB1 (0.62) ALOX15KLKB1PNLIPABCG2MEN1
SCHEMBL9826567 0.71 THRB (0.54) ALOX15MEN1NPC1RAB9AKMT2A
SCHEMBL26628392 0.69 ALDH1A1 (0.58) ALOX15KLKB1PNLIPABCG2MEN1

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-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
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