SCHEMBL587151

SCHEMBL587151

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F.Cc1cc(Br)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.39
LIPG Q9Y5X9 13/20 0.39
F2 P00734 2/20 0.35
F11 P03951 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
EGFR P00533 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
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

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
SCHEMBL586649 0.91 LPL (0.45) LPLLIPGF2F11PRSS1
SCHEMBL14010221 0.79 LPL (0.45) LPLLIPGF2F11PRSS1
SCHEMBL26923911 0.79 LPL (0.47) LPLLIPGF2F11PRSS1
SCHEMBL30692214 0.79 LPL (0.47) LPLLIPGF2F11PRSS1
SCHEMBL29426988 0.78 KDM1A (0.42) CA1CA2
SCHEMBL869450 0.78 KDM1A (0.42) CA1CA2
SCHEMBL24363863 0.78 LPL (0.44) LPLLIPGF2F11PRSS1
SCHEMBL3792144 0.78 LPL (0.44) LPLLIPGF2F11PRSS1
SCHEMBL321493 0.76 LPL (0.49) LPLLIPGF2F11PRSS1
SCHEMBL17939976 0.75 F11 (0.49) LPLLIPGF2F11PRSS1

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-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed