SCHEMBL28429040

SCHEMBL28429040

O=C(O)c1c(O)nc(C2CCCCC2)c(C2CCCCC2)c1C1CCCCC1.[SnH2]

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.33
ACMSD Q8TDX5 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CETP P11597 3/20 0.32
HCAR2 Q8TDS4 1/20 0.31
DHODH Q02127 1/20 0.30
LDHA P00338 1/20 0.30
MAPT P10636 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
SCHEMBL14989223 0.73 KMO (0.39) KMOACMSDKDM4EGLAHTT
SCHEMBL14989298 0.73 KMO (0.39) KMOACMSDKDM4EGLAHTT
SCHEMBL14989167 0.72 KMO (0.41) KMOACMSDKDM4EGLAHTT
SCHEMBL206825 0.70 ACMSD (0.36) KMOACMSDKDM4EGLAHTT
SCHEMBL1264771 0.70 ACMSD (0.38) KMOACMSDKDM4EGLAHTT
SCHEMBL18781916 0.66 KMO (0.37) KMOACMSDKDM4EGLAHTT
SCHEMBL13835897 0.65 KDM4E (0.37) KMOACMSDKDM4EGLAHTT
SCHEMBL17323560 0.65 DHODH (0.36) KMOACMSDKDM4EGLAHTT
SCHEMBL17323559 0.65 KMO (0.40) KMOACMSDKDM4EGLAHTT
SCHEMBL14989248 0.65 ACMSD (0.46) KMOACMSDKDM4EGLAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111253431-A Tricyclohexyltin 2-hydroxynicotinate complex and preparation method and application thereof 衡阳师范学院 2020-06-09 CN disclosed
CN-111253431-A Tricyclohexyltin 2-hydroxynicotinate complex and preparation method and application thereof 衡阳师范学院 2020-06-09 CN disclosed