SCHEMBL31353191

SCHEMBL31353191

CO[C@@]1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCOC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.41
LIPG Q9Y5X9 12/20 0.41
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
ALOX5 P09917 2/20 0.38
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
F11 P03951 1/20 0.35
SNCA P37840 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL31353180 1.00 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL31353301 1.00 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL31158444 0.91 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL20505491 0.88 LPL (0.45) LPLLIPGCA1CA2CA9
SCHEMBL16050350 0.85 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL31353276 0.84 LPL (0.37) LPLLIPGCA1CA2CA9
SCHEMBL31353601 0.84 LPL (0.37) LPLLIPGCA1CA2CA9
SCHEMBL31353174 0.84 LPL (0.37) LPLLIPGCA1CA2CA9
SCHEMBL12845014 0.81 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL31353150 0.79 LPL (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025021217-A1 QUINOLINE DERIVATIVES AND PHARMARCEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASE BEIGENE SWITZERLAND GMBH (CH) 2025-01-30 WO disclosed