SCHEMBL4304879

SCHEMBL4304879

CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCCOCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.33
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APLNR P35414 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CTH P32929 1/20 0.30
CBS P35520 1/20 0.30
THPO P40225 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
SCHEMBL7263697 1.00 VCAM1 (0.33) VCAM1BLMPMP22HSD17B10APLNR
SCHEMBL1205241 1.00 VCAM1 (0.33) VCAM1BLMPMP22HSD17B10APLNR
SCHEMBL20534803 1.00 VCAM1 (0.33) VCAM1BLMPMP22HSD17B10APLNR
SCHEMBL30850421 0.98 VCAM1 (0.33) VCAM1APLNRSMN1; SMN2EPHX2CYP2D6
SCHEMBL25182441 0.92 APLNR (0.35) HSD17B10APLNRSMN1; SMN2CYP2D6
SCHEMBL20535618 0.92 APLNR (0.35) HSD17B10APLNRSMN1; SMN2CYP2D6
SCHEMBL20535201 0.92 APLNR (0.35) HSD17B10APLNRSMN1; SMN2CYP2D6
SCHEMBL20535616 0.92 APLNR (0.35) HSD17B10APLNRSMN1; SMN2CYP2D6
SCHEMBL25288699 0.90 VCAM1 (0.38) VCAM1SMN1; SMN2CYP2D6TSHRCTH
SCHEMBL13907508 0.89 APLNR (0.36) HSD17B10APLNRSMN1; SMN2CYP2D6

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-20090215192-A1 Solid-phase affinity-based method for preparing and manipulating an analyte-containing solution STRATOS BIOSYSTEMS, LLC (US) 2009-08-27 US disclosed