SCHEMBL28178772

SCHEMBL28178772

C=C(CCC)C(=O)OCC1CCCO1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MGLL Q99685 1/20 0.38

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
SCHEMBL7641450 0.88 LMNA (0.54) LMNAPOLBALDH1A1NPSR1CYP1A2
SCHEMBL2009959 0.87 ALDH1A1 (0.51) LMNAPOLBALDH1A1NPSR1CYP1A2
SCHEMBL1066387 0.87 LMNA (0.56) LMNAPOLBALDH1A1NPSR1CYP1A2
SCHEMBL14994236 0.83 LMNA (0.55) LMNAPOLBALDH1A1NPSR1
SCHEMBL26129285 0.83 LMNA (0.55) LMNAPOLBALDH1A1NPSR1
SCHEMBL631384 0.83 ALDH1A1 (0.64) ALDH1A1MGLL
SCHEMBL1069423 0.82 LMNA (0.62) LMNAPOLBALDH1A1NPSR1MGLL
SCHEMBL873613 0.81 LMNA (0.76) LMNAPOLBALDH1A1MGLL
SCHEMBL27848264 0.81 ALDH1A1 (0.67) LMNAPOLBALDH1A1NPSR1CYP1A2
SCHEMBL36133 0.81 ALDH1A1 (0.67) LMNAPOLBALDH1A1NPSR1CYP1A2

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
CN-107298751-A Fluorine-containing system: compositions and its manufacture method, fluorine-containing active energy ray-curable composition and article 信越化学工业株式会社 2017-10-27 CN disclosed