SCHEMBL8960058

SCHEMBL8960058

C=C=C1OCc2cc(OCCCC)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 12/20 0.40
MAOA P21397 11/20 0.40
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL8959792 0.97 THRA (0.43) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL8959944 0.96 THRA (0.45) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL8959916 0.94 MAOA (0.40) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL8959917 0.89 MAOA (0.42) MEN1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL8959924 0.77 AAK1 (0.36) ALDH1A1MAPTKMT2AMAOBMAOA
SCHEMBL805440 0.74 MAOB (0.45) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL805442 0.73 MEN1 (0.56) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL4894161 0.72 NPC1 (0.53) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL7882709 0.70 MAOA (0.74) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL11357497 0.68 THRA (0.54) MEN1NPC1ALDH1A1GAAMAPT

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
US-5510456-A Bridged cyclic arleneethylene polymers SHOWA DENKO K. K. (JP) 1996-04-23 US disclosed