SCHEMBL28057644

SCHEMBL28057644

C=CC(OC(=O)C(=C)C)N1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL11301557 0.85 ALDH1A1 (0.33) ALDH1A1TSHR
Fluoride SCHEMBL7527631 0.79 ALDH1A1 (0.38) ALDH1A1LMNAMAPTHPGDRAB9A
SCHEMBL93248 0.79 ALDH1A1 (0.38) ALDH1A1LMNAMAPTHPGDRAB9A
Ethane SCHEMBL28247372 0.78 ALDH1A1 (0.37) ALDH1A1LMNAMAPTHPGDRAB9A
SCHEMBL9839684 0.75 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHPGDRAB9A
SCHEMBL27815774 0.73 ALDH1A1 (0.33) ALDH1A1LMNAMAPTHPGDRAB9A
SCHEMBL11027404 0.72 ALDH1A1 (0.33) ALDH1A1LMNAMAPTHPGDRAB9A
SCHEMBL8014862 0.72 ALDH1A1 (0.31) ALDH1A1LMNAMAPTHPGDRAB9A
Oxirane SCHEMBL28298197 0.71 TSHR (0.37) ALDH1A1TSHR
SCHEMBL11761722 0.70 ALDH1A1 (0.30) ALDH1A1LMNAMAPTHPGDRAB9A

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-105339178-A White inkjet ink printing AGFA GRAPHICS NV 2016-02-17 CN disclosed