SCHEMBL9959687

SCHEMBL9959687

CCC(N)C(=O)O.O=C(O)CCC(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ ALDH1A1 P00352 4/20 0.66
▸ HPGD P15428 1/20 0.61
▸ CTNNB1 P35222 12/20 0.60
▸ WNT3A P56704 8/20 0.59
▸ TP53 P04637 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ KLF5 Q13887 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ALDH3A1 P30838 1/20 0.51
▸ HTT P42858 1/20 0.51

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
SCHEMBL9959771 0.89 PKM (0.67) PKMTSHRALDH1A1HPGDCTNNB1
SCHEMBL1443787 0.85 PKM (1.00) PKMTSHRALDH1A1HPGDCTNNB1
SCHEMBL4259988 0.80 ALDH1A1 (1.00) PKMTSHRALDH1A1HPGDCTNNB1
SCHEMBL653025 0.80 PKM (0.87) PKMTSHRALDH1A1HPGDCTNNB1
Gamma-Aminobutyric Acid SCHEMBL9959686 0.80 PKM (0.81) PKMTSHRALDH1A1HPGDCTNNB1
SCHEMBL20827392 0.77 HPGD (1.00) PKMTSHRALDH1A1HPGDCTNNB1
Dalosirvat SCHEMBL653870 0.76 CTNNB1 (1.00) PKMTSHRALDH1A1HPGDCTNNB1
SCHEMBL19560174 0.75 CTNNB1 (0.74) PKMTSHRALDH1A1HPGDCTNNB1
SCHEMBL10027736 0.74 CTNNB1 (1.00) PKMTSHRALDH1A1HPGDCTNNB1
SCHEMBL27611333 0.74 HPGD (0.82) PKMTSHRALDH1A1HPGDCTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2656072-B1 MULTI-ANALYTE MICROARRAYS USING TAG-SPECIFIC ANTIBODIES AND TAG-ANCHORED ANTIBODIES RANDOX LAB LTD (GB) 2015-01-21 — — EP disclosed
US-20130310277-A1 MULTI-ANALYTE MICROARRAYS USING TAG-SPECIFIC ANTIBODIES AND TAG-ANCHORED ANTIBODIES RANDOX LABORATORIES LIMITED (GB) 2013-11-21 — — US disclosed
EP-2656072-A1 MULTI-ANALYTE MICROARRAYS USING TAG-SPECIFIC ANTIBODIES AND TAG-ANCHORED ANTIBODIES Randox Laboratories Ltd. (GB) 2013-10-30 — — EP disclosed
WO-2012084915-A1 MULTI-ANALYTE MICROARRAYS USING TAG-SPECIFIC ANTIBODIES AND TAG-ANCHORED ANTIBODIES RANDOX LABORATORIES LTD (GB) 2012-06-28 — — WO disclosed
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