SCHEMBL28360253

SCHEMBL28360253

CCCCCCN(CC)NCCO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DNM1 Q05193 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR2 O95136 6/20 0.37
S1PR1 P21453 6/20 0.37
S1PR3 Q99500 6/20 0.37
S1PR4 O95977 5/20 0.37
S1PR5 Q9H228 2/20 0.37
MGLL Q99685 1/20 0.37
NAAA Q02083 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL29118530 0.85
SCHEMBL9332363 0.85 EPHX1 (0.44) ALDH1A1TSHRDNM1S1PR2S1PR1
SCHEMBL19621224 0.82 DNM1 (0.40) ALDH1A1TSHRDNM1S1PR2S1PR1
SCHEMBL3650243 0.82 ALDH1A1 (0.41) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL4471064 0.82
SCHEMBL1492439 0.78 DNM1 (0.46) ALDH1A1TSHRDNM1S1PR2S1PR1
SCHEMBL578555 0.77 EPHX1 (0.50) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL28859025 0.77 EPHX1 (0.50) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL7093735 0.77 EPHX1 (0.50) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL8391472 0.77 EPHX1 (0.50) ALDH1A1TSHRS1PR2S1PR1S1PR3

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-110831997-A Mixtures of radically curable compounds and their use 喜利得股份公司 2020-02-21 CN disclosed