SCHEMBL28580669

SCHEMBL28580669

CCc1ccc(B2OC(C)(C)C(C)(C)O2)s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.41
LIPG Q9Y5X9 13/20 0.41
F11 P03951 1/20 0.33
USP30 Q70CQ3 1/20 0.32
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
WRN Q14191 1/20 0.31
ESR2 Q92731 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL16600323 0.85 LPL (0.50) LPLLIPGF11USP30P2RX7
SCHEMBL120211 0.83 LPL (0.42) LPLLIPGF11USP30P2RX7
SCHEMBL3348299 0.83 LPL (0.36) LPLLIPGF11CA1CA2
SCHEMBL13976523 0.82 LPL (0.47) LPLLIPGALDH1A1
SCHEMBL23247372 0.81 CYP2A6 (0.37) LPLLIPGF11USP30P2RX7
SCHEMBL1568941 0.81 LPL (0.54) LPLLIPGALDH1A1
SCHEMBL24533910 0.80 USP30 (0.35) LPLLIPGF11USP30
SCHEMBL12681696 0.80 LPL (0.35) LPLLIPGUSP30ESR2
SCHEMBL13410351 0.80 LPL (0.55) LPLLIPGALDH1A1
SCHEMBL12122383 0.80 LPL (0.55) LPLLIPGALDH1A1

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
CN-112920813-A Photo-thermal responsive chiral photosensitive liquid crystal dopant containing azobenzene binaphthalene 湘潭大学 2021-06-08 CN claimed
CN-112920813-A Photo-thermal responsive chiral photosensitive liquid crystal dopant containing azobenzene binaphthalene 湘潭大学 2021-06-08 CN disclosed