SCHEMBL9119394

SCHEMBL9119394

CCOC(=O)C(Cc1ccccc1)OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.56
SRR Q9GZT4 2/20 0.53
PIN1 Q13526 1/20 0.51
PPARG P37231 8/20 0.50
PPARA Q07869 7/20 0.50
ALDH1A1 P00352 2/20 0.47
EPHX2 P34913 1/20 0.47
TP53 P04637 1/20 0.47
PPARD Q03181 3/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL14392329 1.00 MMP8 (0.56) MMP8SRRPIN1PPARGPPARA
SCHEMBL3541115 0.86 MMP8 (0.56) MMP8SRRPIN1PPARGPPARA
SCHEMBL27546630 0.86 MMP8 (0.56) MMP8SRRPIN1PPARGPPARA
SCHEMBL7150900 0.86 SRR (0.56) SRRPPARGPPARAALDH1A1PPARD
SCHEMBL3694538 0.85 ESR1 (0.51) MMP8PPARA
SCHEMBL5360147 0.85 ESR1 (0.51) MMP8PPARA
SCHEMBL14392121 0.85 PPARA (0.45) MMP8SRRPIN1PPARGPPARA
SCHEMBL27798684 0.84 MMP8 (0.51) MMP8SRRPIN1PPARGPPARA
SCHEMBL11436318 0.83 MMP8 (0.54) MMP8SRRPIN1PPARGPPARA
SCHEMBL6632835 0.83 SMN1; SMN2 (0.54) MMP8PIN1PPARGPPARAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269341-A Catalyst for synthesizing high isotactic polybutene and its prepn 青岛科技大学 2020-06-12 CN disclosed
CN-1230175-A Cytostatic hydroximic acid derivatives BRITISH BIOTECH PHARM (GB) 1999-09-29 CN disclosed
US-5434186-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1995-07-18 US disclosed
US-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0531823-A1 Bicyclic carboxylic acid derivatives as anti-inflammatory agents F. HOFFMANN-LA ROCHE AG (CH) 1993-03-17 EP disclosed