SCHEMBL24045871

SCHEMBL24045871

Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.36
LIPG Q9Y5X9 7/20 0.36
F11 P03951 3/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
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
FFAR1 O14842 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
SCHEMBL28906593 0.84 LPL (0.39) LPLLIPGF11F2PRSS1
SCHEMBL31256428 0.81 LPL (0.36) LPLLIPGF11F2PRSS1
SCHEMBL26694485 0.79 LPL (0.42) LPLLIPGF11F2PRSS1
SCHEMBL153708 0.78 LPL (0.38) LPLLIPGF11CA1CA2
SCHEMBL5839839 0.77 LPL (0.37) LPLLIPGF11F2PRSS1
SCHEMBL14955808 0.77 LPL (0.40) LPLLIPGF11F2PRSS1
SCHEMBL17939958 0.77 F2 (0.40) LPLLIPGF11F2PRSS1
SCHEMBL3599378 0.76 LPL (0.41) LPLLIPGF11CA1CA2
SCHEMBL30789305 0.75 F2 (0.30) F11F2PRSS1PRSS2PRSS3
SCHEMBL587211 0.75 LPL (0.44) LPLLIPGF11F2PRSS1

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-20210363417-A1 ELECTROLUMINESECENT MATERIAL, METHOD FOR MANUFACTURING SAME, AND LUMINESECENT DEVICE WUHAN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2021-11-25 US disclosed