SCHEMBL9826852

SCHEMBL9826852

COc1ccc(CCc2ccc(NC(=O)C(=O)c3cc(Cl)ccc3O)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.56
▸ THRB P10828 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ALOX15 P16050 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ DNMT3A Q9Y6K1 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ KCNMA1 Q12791 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GABRP O00591 1/20 0.47
▸ GABRD O14764 1/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ GABRB1 P18505 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ GABRA2 P47869 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ GABRA4 P48169 1/20 0.47

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
SCHEMBL9826567 0.85 THRB (0.54) CNR1THRBMAPTALOX15ALDH1A1
SCHEMBL10386151 0.82 ALOX15 (0.71) CNR1MAPTALOX15ALDH1A1GAA
SCHEMBL10384541 0.82 ALOX15 (0.56) CNR1THRBALOX15ALDH1A1TP53
SCHEMBL10385002 0.78 THRB (0.51) CNR1THRBMAPTALDH1A1GAA
SCHEMBL10483343 0.77 THRB (0.63) CNR1THRBMAPTALDH1A1LMNA
SCHEMBL9826705 0.76 ALOX15 (0.69) MAPTALOX15ALDH1A1GAATP53
SCHEMBL16562214 0.76 THRB (0.80) CNR1THRBMAPTALDH1A1GAA
SCHEMBL9828478 0.76 THRB (0.48) CNR1THRBMAPTALDH1A1LMNA
SCHEMBL13189704 0.75 P2RX1 (0.67) MAPTALDH1A1GAAKCNMA1TP53
SCHEMBL24438365 0.74 ALDH1A1 (0.69) MAPTALDH1A1DNMT3AGAAKCNMA1

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
Send feedback