SCHEMBL9118524

SCHEMBL9118524

COC(=O)CCc1cc(C(C)=O)ccc1OCCCCCOS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.43
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
GAA P10253 2/20 0.38
PLA2G2D Q9UNK4 1/20 0.37

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
SCHEMBL9121185 0.89 MAPT (0.41) LTB4RKMT2ASMN1; SMN2MAPTMEN1
SCHEMBL9121570 0.86 LTB4R (0.47) LTB4RKMT2ASMN1; SMN2MAOBMAPT
SCHEMBL9122890 0.85 KMT2A (0.47) LTB4RKMT2ASMN1; SMN2MAOBMAPT
SCHEMBL9121437 0.85 LTB4R (0.44) LTB4RMAPTLTB4R2
SCHEMBL9119818 0.84 PDE3B (0.43) LTB4RKMT2AMAPTALDH1A1MEN1
SCHEMBL9121426 0.82 PPARD (0.49) LTB4RKMT2AALDH1A1MEN1LTB4R2
SCHEMBL8800245 0.80 LTB4R (0.42) LTB4RKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL8799495 0.78 MEN1 (0.48) LTB4RKMT2AMAPTALDH1A1MEN1
SCHEMBL17329439 0.76 KMT2A (0.55) KMT2AMAOBALDH1A1MEN1
SCHEMBL9121288 0.76 TDP1 (0.46) LTB4RALDH1A1

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