SCHEMBL3995992

SCHEMBL3995992

CC(C)(C)[Si](C)(C)CCCOc1cccc(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.48
MAOB P27338 7/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
SRC P12931 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
FURIN P09958 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL616129 0.81 MAOA (0.48) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL31115543 0.81 MAOA (0.48) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30724528 0.80 MAOA (0.64) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL8716037 0.78 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL8374655 0.78 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL8374654 0.78 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5543437 0.78 MAOA (0.66) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL16894509 0.78 MAOA (0.54) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL25389100 0.77 MAOA (0.45) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30571233 0.77 MAOA (0.45) MAOAMAOBNPC1RAB9ATDP1

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
EP-1296143-B1 Mass spectrometric detection of polypeptides SEQUENOM INC (US) 2009-06-03 EP disclosed