SCHEMBL9119228

SCHEMBL9119228

CCOC(=O)CCCOc1ccc(CCCCCCOC2CCCCO2)c(CCC(=O)OC)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CNR2 P34972 10/20 0.40
CNR1 P21554 4/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
BRD4 O60885 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.37
PDK2 Q15119 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL9120082 0.85 MEN1 (0.49) MEN1KMT2ACNR2CNR1BRD4
SCHEMBL9121763 0.85 MEN1 (0.45) MEN1KMT2ACNR2CNR1BRD4
SCHEMBL9121754 0.85 MEN1 (0.45) MEN1KMT2ACNR2CNR1BRD4
SCHEMBL8463851 0.82 LTB4R (0.44) MEN1KMT2ACNR2CNR1LTB4R
SCHEMBL9120964 0.81 LTB4R (0.46) MEN1KMT2ACNR2CNR1LTB4R
SCHEMBL9121601 0.81 LTB4R (0.46) MEN1KMT2ACNR2CNR1LTB4R
SCHEMBL9120015 0.81 LTB4R (0.46) MEN1KMT2ACNR2CNR1LTB4R
SCHEMBL8463856 0.77 CYP4F2 (0.41) MEN1KMT2A
SCHEMBL8003850 0.77 MEN1 (0.48) MEN1KMT2ARAB9AALDH1A1
SCHEMBL9122251 0.76 MEN1 (0.47) MEN1KMT2ALTB4RLTB4R2NPC1

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