SCHEMBL6576162

SCHEMBL6576162

CCCC/C=C(/OCCC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.46
HCAR2 Q8TDS4 4/20 0.41
GRIK1 P39086 1/20 0.41
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
LMNA P02545 1/20 0.35
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34
ACHE P22303 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
SCHEMBL11132273 0.88 HCAR2 (0.44) EP300HCAR2GRIK1ATMALDH1A1
SCHEMBL2721271 0.86 EP300 (0.47) EP300HCAR2GRIK1ATMALDH1A1
SCHEMBL10644939 0.83 HCAR2 (0.49) EP300HCAR2ATMALDH1A1TSHR
SCHEMBL10644931 0.83 HCAR2 (0.49) EP300HCAR2ATMALDH1A1TSHR
SCHEMBL5165049 0.82 HCAR2 (0.45) EP300HCAR2GRIK1ATMALDH1A1
SCHEMBL2141777 0.81 EP300 (0.55) EP300ATMF7F3LMNA
SCHEMBL2141770 0.81 EP300 (0.55) EP300ATMF7F3LMNA
SCHEMBL1036474 0.80 EP300 (0.48) EP300GRIK1TSHRF7F3
SCHEMBL125749 0.78 ATM (0.50) EP300HCAR2ATMALDH1A1TSHR
SCHEMBL23829570 0.77 HCAR2 (0.48) HCAR2ATMALDH1A1TSHRHPGD

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-1489410-A2 Copolymers for membranes in extended use planar sensors Novartis AG (CH) 2004-12-22 EP disclosed