SCHEMBL11579454

SCHEMBL11579454

O=C(c1ccccc1)C(CO)(OS(=O)(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 8/20 0.42
▸ SRC P12931 1/20 0.36
▸ CES2 O00748 5/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ F2 P00734 1/20 0.32

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
SCHEMBL455255 0.86 CES1 (0.44) CES1SRCCES2MAPK1HIF1A
SCHEMBL5913016 0.86 CES1 (0.45) CES1SRCCES2MAPK1HIF1A
SCHEMBL7945147 0.82 CES1 (0.49) CES1SRCCES2MAPK1HIF1A
SCHEMBL504243 0.79 RECQL (0.45) CES1CES2LMNAMAPTALDH1A1
SCHEMBL449214 0.79 CA1 (0.38) CES1PTPN1LMNAMAPTHSD11B1
SCHEMBL36097 0.79 CES1 (0.59) CES1SRCCES2MAPK1HIF1A
SCHEMBL1255415 0.78 LMNA (0.50) CES1SRCCES2LMNAMAPT
SCHEMBL5574740 0.78 CES1 (0.49) CES1SRCCES2HIF1ALMNA
SCHEMBL503385 0.77 CES1 (0.42) CES1CES2PTPN1
SCHEMBL452943 0.77 KMT2A (0.38) CES1ALDH1A1MEN1KMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000193-A1 Coating compositions BAYER AG (DE) 1979-01-10 — — EP disclosed
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