SCHEMBL2843333

SCHEMBL2843333

CC(C)(C)[Si](C)(C)OCC1CCC(=O)N1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR2C P28335 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL2727664 1.00 SMN1; SMN2 (0.41) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL30694003 0.83 PSEN1 (0.40)
SCHEMBL29185150 0.83 PSEN1 (0.40)
SCHEMBL29560191 0.81 SMN1; SMN2 (0.45) SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL30693995 0.81 AGTR2 (0.40) SMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL3742158 0.80 DUT (0.34)
SCHEMBL211191 0.80 DUT (0.34)
SCHEMBL6475389 0.80 PREP (0.49) NPSR1
SCHEMBL6475398 0.80 PREP (0.49) NPSR1
SCHEMBL6484219 0.80 PREP (0.49) NPSR1

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-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed