SCHEMBL28417481

SCHEMBL28417481

O=C(O)NCCCCOC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
TERT O14746 1/20 0.41
EPHX1 P07099 5/20 0.40
EPHX2 P34913 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37

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
SCHEMBL21842362 0.83 KDM4E (0.52) NAAAEPHX1EPHX2KDM4E
SCHEMBL23975364 0.82 NAAA (0.62) NAAATERTEPHX1EPHX2SMN1; SMN2
SCHEMBL23975138 0.82 NAAA (0.62) NAAATERTEPHX1EPHX2SMN1; SMN2
SCHEMBL10815921 0.81 ZDHHC20 (0.46) NAAATERTEPHX1EPHX2SMN1; SMN2
SCHEMBL10803345 0.81 ZDHHC20 (0.46) NAAATERTEPHX1EPHX2SMN1; SMN2
SCHEMBL10803619 0.81 ZDHHC20 (0.46) NAAATERTEPHX1EPHX2SMN1; SMN2
SCHEMBL10807214 0.81 ZDHHC20 (0.46) NAAATERTEPHX1EPHX2SMN1; SMN2
SCHEMBL25370749 0.81 NAMPT (0.32) NAAAEPHX1EPHX2ALDH1A1
SCHEMBL10812841 0.79 ZDHHC20 (0.47) NAAATERTEPHX2SMN1; SMN2ALDH1A1
SCHEMBL23884214 0.78 GNAI3 (0.39) NAAAEPHX1EPHX2SMN1; SMN2TSHR

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-109070618-B Ink jet recording method 富士胶片株式会社 2020-06-09 CN disclosed