SCHEMBL3459879

SCHEMBL3459879

CCCS(=O)(=O)c1cc(O)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ ESR1 P03372 2/20 0.35
▸ PLCG1 P19174 1/20 0.35
▸ GAA P10253 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ GFER P55789 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALPL P05186 1/20 0.33
▸ ALPI P09923 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ DNMT1 P26358 1/20 0.33
▸ MCL1 Q07820 1/20 0.33

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
SCHEMBL11858775 0.81 ALDH1A1 (0.45) HSD17B10LMNAHPGDHIF1AALDH1A1
SCHEMBL11853377 0.79 HSD17B10 (0.41) HSD17B10LMNAHPGDHIF1AALDH1A1
SCHEMBL22409314 0.75 ALDH1A1 (0.48) HSD17B10LMNAHPGDHIF1AALDH1A1
SCHEMBL15846216 0.74 PLCG1 (0.64) HSD17B10ALDH1A1PLCG1POLBKMT2A
SCHEMBL10424527 0.74 LMNA (0.49) HSD17B10LMNAHPGDHIF1AALDH1A1
SCHEMBL11143856 0.73 MAOB (0.46) HSD17B10LMNAHPGDHIF1AESR1
SCHEMBL10612173 0.72 LMNA (0.53) HSD17B10LMNAHPGDHIF1AALDH1A1
SCHEMBL10626068 0.71 LMNA (0.51) HSD17B10LMNAHPGDHIF1AALDH1A1
SCHEMBL2646220 0.70 CA2 (0.53) HSD17B10LMNAALDH1A1ESR1GAA
SCHEMBL22409172 0.69 SMN1; SMN2 (0.41) HSD17B10LMNAHPGDHIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250150-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 — — EP disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 — — WO disclosed
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