SCHEMBL21741655

SCHEMBL21741655

O=C(O)c1cc2ccccc2cc1COCCN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LTA4H P09960 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NPY1R P25929 1/20 0.46
HTT P42858 1/20 0.46
HRH3 Q9Y5N1 7/20 0.45

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
SCHEMBL21712312 0.80 DRD2 (0.57) KDM4ESMN1; SMN2ALDH1A1LTA4HHTT
SCHEMBL6399281 0.80 MEN1 (0.54) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL21741610 0.79 KDM4E (0.62) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6400429 0.78 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6152322 0.73 LTA4H (0.51) KDM4ESMN1; SMN2ALDH1A1LTA4HNPC1
SCHEMBL21740126 0.72 MAPT (0.60) KDM4EALDH1A1RAB9AHRH3
SCHEMBL6393260 0.72 LTA4H (0.84) KDM4ESMN1; SMN2ALDH1A1LTA4HNPC1
SCHEMBL8401002 0.70 DRD2 (0.75) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL11365759 0.70 DRD2 (0.75) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6154507 0.70 HRH1 (0.50) KDM4ESMN1; SMN2ALDH1A1LTA4HNPC1

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
WO-2020036812-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-20 WO disclosed