SCHEMBL3126545

SCHEMBL3126545

COCCC1OCC(C)(OC(=O)OC)CO1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ASGR1 P07306 1/20 0.33
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3129270 0.86 ALDH1A1 (0.31)
SCHEMBL3096236 0.78 GAA (0.30)
SCHEMBL6760751 0.74 NPC1 (0.31) SMN1; SMN2
SCHEMBL1470454 0.72
SCHEMBL12986611 0.72 EPHX1 (0.31)
SCHEMBL617542 0.69
SCHEMBL615881 0.66 PDK1 (0.32)
SCHEMBL13885605 0.65
SCHEMBL9336567 0.64
SCHEMBL13918235 0.64 SMN1; SMN2 (0.31) TSHRSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054427-B1 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-07-14 EP disclosed
EP-2054427-A2 AVERMECTIN DERIVATIVES Bayer CropScience AG (DE) 2009-05-06 EP disclosed
WO-2008019784-A2 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-02-21 WO disclosed