SCHEMBL14746261

SCHEMBL14746261

CC1(C)OB(c2ccoc2C=O)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.36
LIPG Q9Y5X9 5/20 0.36
P2RX7 Q99572 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
P4HB P07237 1/20 0.31

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
SCHEMBL826713 0.73 LPL (0.40) LPLLIPGP2RX7CA1CA2
SCHEMBL2723964 0.73 LPL (0.40) LPLLIPGP2RX7CA1CA2
SCHEMBL22886631 0.72 LPL (0.39) LPLLIPGP2RX7CA1CA2
SCHEMBL5134635 0.70 F11 (0.38) LPLLIPGP2RX7CA1CA2
SCHEMBL22802070 0.69 LPL (0.33) LPLLIPGP2RX7CA1CA2
SCHEMBL861866 0.69 LMNA (0.43) LPLLIPGCA1CA2CA9
SCHEMBL2298163 0.67 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL28476218 0.67 ALDH1A1 (0.37) LPLLIPGCA1CA2CA9
SCHEMBL3529326 0.67 LPL (0.37) LPLLIPGCA1CA2CA9
SCHEMBL1467753 0.67 CYP2A6 (0.36) LPLLIPGCA1CA2CA9

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-2013033093-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-07 WO disclosed
WO-2013033093-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-07 WO disclosed