SCHEMBL39898

SCHEMBL39898

Bc1ccc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.46
LIPG Q9Y5X9 12/20 0.46
DGAT1 O75907 2/20 0.44
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
F11 P03951 1/20 0.38
FFAR1 O14842 1/20 0.36

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
SCHEMBL2099623 0.81 LPL (0.46) LPLLIPGDGAT1CA1CA2
SCHEMBL29483036 0.81 LPL (0.46) LPLLIPGDGAT1CA1CA2
SCHEMBL20068614 0.81 DGAT1 (0.56) LPLLIPGDGAT1CA1CA2
SCHEMBL31219310 0.79 LPL (0.47) LPLLIPGDGAT1CA1CA2
SCHEMBL42112 0.79 LPL (0.47) LPLLIPGDGAT1CA1CA2
SCHEMBL1602392 0.78 LPL (0.46) LPLLIPGDGAT1CA1CA2
SCHEMBL16278109 0.78 LPL (0.46) LPLLIPGDGAT1CA1CA2
SCHEMBL17787570 0.78 LPL (0.46) LPLLIPGDGAT1CA1CA2
SCHEMBL506215 0.78 DGAT1 (0.47) LPLLIPGDGAT1CA1CA2
SCHEMBL29516651 0.78 LPL (0.46) LPLLIPGDGAT1CA1CA2

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
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed
EP-2233490-A1 NOVEL BORON COMPOUND, METHOD FOR PRODUCING THE SAME, AND FUNCTIONAL ELECTRONIC DEVICE USING THE SAME Kyoto University (JP) 2010-09-29 EP disclosed