SCHEMBL9828478

SCHEMBL9828478

COc1ccc(CCc2ccc(NC(=O)C(=O)c3cccc(C(C)(C)C)c3O)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.48
▸ POLB P06746 2/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ KLKB1 P03952 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ IMPDH2 P12268 1/20 0.42
▸ IMPDH1 P20839 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PLAAT3 P53816 1/20 0.41
▸ PLAAT5 Q96KN8 1/20 0.41
▸ PLAAT2 Q9NWW9 1/20 0.41
▸ PLAAT4 Q9UL19 1/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL10384541 0.85 ALOX15 (0.56) THRBPOLBKLKB1CNR1EPHX2
SCHEMBL9826446 0.85 ALOX15 (0.56) NR1H4KLKB1NPC1RAB9A
SCHEMBL9826567 0.83 THRB (0.54) THRBPOLBCNR1EPHX2MEN1
SCHEMBL9826852 0.76 CNR1 (0.56) THRBPOLBCNR1MAPTLMNA
SCHEMBL10483343 0.75 THRB (0.63) THRBPOLBCNR1EPHX2MEN1
SCHEMBL9826705 0.74 ALOX15 (0.69) KLKB1MEN1MAPTKMT2ALMNA
SCHEMBL10411951 0.73 ATM (0.53) THRBPOLBMEN1MAPTKMT2A
SCHEMBL10412088 0.73 MAPT (0.56) THRBPOLBCNR1MEN1MAPT
SCHEMBL10411289 0.71 THRB (0.61) THRBPOLBCNR1EPHX2MEN1
SCHEMBL10412531 0.70 POLB (0.50) THRBPOLBCNR1EPHX2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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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