SCHEMBL4583065

SCHEMBL4583065

C=CCOc1ccc([C@@H]2[C@@H](O)CN(C(=O)OCc3ccccc3)C[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36
CTSK P43235 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LCK P06239 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL3268191 1.00 FAAH (0.37) FAAHMAPTGAAF13A1TGM2
SCHEMBL2339602 0.88 MMP9 (0.43) SMN1; SMN2NPC1RAB9ATP53GRIN2B
SCHEMBL4583118 0.87 SMN1; SMN2 (0.40) CTSKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2338938 0.87 SMN1; SMN2 (0.40) CTSKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2682844 0.87 GAA (0.41) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL1037741 0.87 NPC1 (0.39) CTSKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2338996 0.83 RORC (0.38) F13A1TGM2TGM1CTSKSMN1; SMN2
SCHEMBL2339949 0.83 PPARG (0.40) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL2344278 0.83 NPC1 (0.41) CTSKSMN1; SMN2NPC1RAB9ATP53
SCHEMBL2343217 0.81 REN (0.39) MAOAMAOBGRIN2B

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
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed