SCHEMBL28048962

SCHEMBL28048962

C[C](C)CCC[C@@H](O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.55
LMNA P02545 1/20 0.54
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AOC3 Q16853 5/20 0.46
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ASAH1 Q13510 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL27552003 0.85 SIGMAR1 (0.55) LMNA
SCHEMBL5610050 0.84 RIPK1 (0.52) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL8710104 0.82 RIPK1 (0.61) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL4837244 0.82 RIPK1 (0.61) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL11828179 0.82 RIPK1 (0.61) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL29860819 0.82 RIPK1 (0.61) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL5185803 0.79 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL3081755 0.79 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL7766257 0.79 SIGMAR1 (0.58) LMNA
SCHEMBL8742857 0.79 HDAC3 (0.50) RIPK1LMNAKDM4EL3MBTL1ALDH1A1

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-105209428-A Substituted 3-phenylpropylamine derivatives for the treatment of ophthalmic diseases and disorders ACUCELA INC 2015-12-30 CN disclosed