SCHEMBL2076543

SCHEMBL2076543

CC(C)(C)C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)O)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.38
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CTSA P10619 3/20 0.31
CNR1 P21554 1/20 0.31
NR3C1 P04150 1/20 0.31
HSPA5 P11021 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX12 P18054 2/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL4342553 0.79 NPC1 (0.34) CNR2NPC1RAB9ACTSAPOLB
SCHEMBL2078459 0.69
SCHEMBL2040743 0.66 CTSA (0.40) CNR2CTSANR3C1HSPA5MAPKAPK2
SCHEMBL21814162 0.66 NPC1 (0.48) NPC1RAB9ACTSAHSPA5MAPKAPK2
SCHEMBL4480948 0.66 NPC1 (0.48) NPC1RAB9ACTSAHSPA5MAPKAPK2
SCHEMBL7466599 0.65 ABCB1 (0.50) CNR2
SCHEMBL2078475 0.65 CYP26A1 (0.37) RAB9A
SCHEMBL7269208 0.64 CA2 (0.36) CTSA
SCHEMBL7275363 0.64 CA2 (0.36) CTSA
SCHEMBL1860034 0.64 CA12 (0.32)

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-8163909-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed