SCHEMBL10741995

SCHEMBL10741995

CCCC(C)C=C(C(C)=O)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.56
NPSR1 Q6W5P4 4/20 0.43
ALDH1A1 P00352 8/20 0.39
CYP2D6 P10635 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 9/20 0.38
KMT2A Q03164 9/20 0.38
MAPT P10636 9/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
HSP90AA1 P07900 1/20 0.35
LMNA P02545 4/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
USP2 O75604 4/20 0.35

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
SCHEMBL3915569 0.87 GLO1 (0.50) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL3915573 0.87 GLO1 (0.50) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL20205672 0.87 GLO1 (0.50) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10743738 0.82 GLO1 (0.64) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11715117 0.79 GLO1 (0.60) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11715115 0.79 GLO1 (0.60) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10743747 0.78 CHRM1 (0.37) GLO1NPSR1
SCHEMBL12693570 0.78 ZDHHC7 (0.45) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL13696969 0.76 NPSR1 (0.50) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL20205684 0.73 FAAH (0.43) GLO1NPSR1ALDH1A1SMN1; SMN2MAPT

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
US-4681703-A Alkyl substituted-2,3-dihydrofuran fragrance compositions NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1987-07-21 US disclosed