SCHEMBL9118535

SCHEMBL9118535

COC(=O)C(Cc1cccc(C(C)=O)c1)OCCCCCOS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.43
SLC7A5 Q01650 3/20 0.40
PPARG P37231 4/20 0.38
PPARA Q07869 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 1/20 0.36
F10 P00742 2/20 0.35
PRSS1 P07477 2/20 0.35
PLG P00747 1/20 0.35

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
SCHEMBL9121580 0.87 CYP4F2 (0.47) FOLH1SLC7A5PPARGPPARAHPGD
SCHEMBL9122899 0.87 FOLH1 (0.46) FOLH1SLC7A5PPARGPPARAHPGD
SCHEMBL9121439 0.85 MEN1 (0.43) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL9119824 0.81 MAPK1 (0.39) PPARGPPARAALDH1A1
SCHEMBL8799650 0.79 CYP4F2 (0.46) FOLH1SLC7A5ALDH1A1HPGDRAB9A
SCHEMBL18095490 0.76 CYP4F2 (0.46) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL9118208 0.74 PTGS2 (0.33) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL8799505 0.74 ITGB3 (0.43) PPARGPPARA
SCHEMBL9118824 0.73 PPARG (0.42) FOLH1PPARGPPARAHPGD
SCHEMBL9117679 0.72 MAPK1 (0.47) PPARGPPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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