SCHEMBL1851608

SCHEMBL1851608

CC1(C)OB(c2ccsc2B2OC(C)(C)C(C)(C)O2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.41
LIPG Q9Y5X9 13/20 0.41
P2RX7 Q99572 1/20 0.32
ESR2 Q92731 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
MAPK1 P28482 1/20 0.31
F11 P03951 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
SCHEMBL2563579 0.80 LPL (0.41) LPLLIPGP2RX7CA1CA2
SCHEMBL793512 0.80 LPL (0.41) LPLLIPGP2RX7ESR2CA1
SCHEMBL17807468 0.76 LPL (0.38) LPLLIPGP2RX7CA2F11
SCHEMBL2656259 0.74 LPL (0.37) LPLLIPGP2RX7ESR2
SCHEMBL3529326 0.74 LPL (0.37) LPLLIPGCA1CA2CA9
SCHEMBL2659269 0.74 LPL (0.37) LPLLIPGESR2
SCHEMBL1131519 0.73 MEN1 (0.40) LPLLIPGESR2MAPK1F11
SCHEMBL15099420 0.73 LIPG (0.50) LPLLIPG
SCHEMBL4497626 0.73 LPL (0.58) LPLLIPG
SCHEMBL16816598 0.71 LPL (0.38) LPLLIPG

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-2323697-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY Siemens Medical Solutions USA, Inc. (US) 2011-05-25 EP disclosed
WO-2010011964-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-01-28 WO disclosed