SCHEMBL9119241

SCHEMBL9119241

CCOC(=O)CCCOc1cccc(CC(CCCCCCOC2CCCCO2)C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
FOLH1 Q04609 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MMP13 P45452 1/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BRD4 O60885 1/20 0.36
FAAH O00519 1/20 0.35
LTA4H P09960 2/20 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
SCHEMBL9119228 0.76 MEN1 (0.48) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL9120012 0.76 FOLH1 (0.47) MAPK1L3MBTL1FOLH1TSHRTDP1
SCHEMBL8003850 0.75 MEN1 (0.48) MEN1KMT2AL3MBTL1TSHRTDP1
SCHEMBL22325517 0.74 MEN1 (0.48) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL11537124 0.74 MEN1 (0.50) MEN1KMT2ATDP1ALDH1A1
SCHEMBL1263510 0.74 MEN1 (0.50) MEN1KMT2ATDP1ALDH1A1
SCHEMBL6722595 0.74 MEN1 (0.54) MEN1KMT2APPARGPPARAACACB
SCHEMBL10682289 0.74 MEN1 (0.49) MEN1KMT2ACNR1CNR2PPARG
SCHEMBL10677816 0.74 MEN1 (0.49) MEN1KMT2ACNR1CNR2PPARG
SCHEMBL10678596 0.74 MEN1 (0.49) MEN1KMT2ACNR1CNR2PPARG

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