SCHEMBL24910

SCHEMBL24910

CO/N=C1\CCc2cc(C(OC)OC)ccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL24911 1.00 MAPT (0.38) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL18608901 0.86 MAPT (0.39) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL13606738 0.77 MAPT (0.47) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL5120274 0.76 BRAF (0.37) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL1855812 0.76 SRD5A1 (0.42) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL1855814 0.76 SRD5A1 (0.42) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL24842 0.76 MAPT (0.39) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL29854633 0.76 SRD5A1 (0.42) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL1857232 0.74 MAPT (0.38) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL1857233 0.74 MAPT (0.38) MAPTNPC1RAB9ANFKB1NFKB2

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-2012026403-A1 CONDENSED RING COMPOUND 日本曹達株式会社 (JP) 2012-03-01 WO disclosed