SCHEMBL16404992

SCHEMBL16404992

O=C(O)CCCNC(=O)CCC(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ ALDH1A1 P00352 3/20 0.64
▸ CTNNB1 P35222 11/20 0.61
▸ WNT3A P56704 7/20 0.56
▸ HPGD P15428 1/20 0.56
▸ TP53 P04637 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ KLF5 Q13887 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ RAB9A P51151 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ ATM Q13315 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
SCHEMBL16404991 0.87 CTNNB1 (0.56) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL21753281 0.84 PKM (0.65) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL1443787 0.84 PKM (1.00) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL653025 0.81 PKM (0.87) PKMTSHRALDH1A1CTNNB1WNT3A
Gamma-Aminobutyric Acid SCHEMBL9959686 0.81 PKM (0.81) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL4259988 0.78 ALDH1A1 (1.00) PKMTSHRALDH1A1CTNNB1WNT3A
Dalosirvat SCHEMBL653870 0.77 CTNNB1 (1.00) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL21753357 0.76 CTNNB1 (0.63) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL22638726 0.75 CTNNB1 (0.72) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL21770322 0.75 HPGD (0.55) PKMTSHRALDH1A1CTNNB1WNT3A

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-2656072-B1 MULTI-ANALYTE MICROARRAYS USING TAG-SPECIFIC ANTIBODIES AND TAG-ANCHORED ANTIBODIES RANDOX LAB LTD (GB) 2015-01-21 — — EP disclosed
Send feedback