SCHEMBL28587337

SCHEMBL28587337

CC1(C)OB(c2ccc(O)s2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.36
LIPG Q9Y5X9 12/20 0.36
F11 P03951 1/20 0.33
USP30 Q70CQ3 1/20 0.33
P2RX7 Q99572 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
MAPK1 P28482 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
SCHEMBL120211 0.85 LPL (0.42) LPLLIPGF11USP30P2RX7
SCHEMBL390494 0.79 LPL (0.40) LPLLIPGF11USP30P2RX7
SCHEMBL30846 0.78 LPL (0.37) LPLLIPGF11USP30P2RX7
SCHEMBL28736463 0.77 MEN1 (0.36) LPLLIPGF11USP30P2RX7
SCHEMBL5892452 0.76 LPL (0.36) LPLLIPGF11USP30P2RX7
SCHEMBL16001682 0.76 LPL (0.36) LPLLIPGF11USP30P2RX7
SCHEMBL14854211 0.76 LPL (0.36) LPLLIPGF11USP30P2RX7
SCHEMBL2400910 0.76 LPL (0.36) LPLLIPGF11USP30P2RX7
SCHEMBL14332445 0.76 LPL (0.43) LPLLIPGF11USP30P2RX7
SCHEMBL23247372 0.76 CYP2A6 (0.37) LPLLIPGF11USP30P2RX7

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
CN-113173920-A Fluorescence-opened diarylethene fluorescent probe and preparation method and application thereof 国家纳米科学中心 2021-07-27 CN disclosed