SCHEMBL31030871

SCHEMBL31030871

CC1(C)OB(c2ccc3c(c2)CNC3)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.43
LIPG Q9Y5X9 13/20 0.43
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ROCK1 Q13464 1/20 0.37
BACE1 P56817 2/20 0.37
F11 P03951 1/20 0.36
P4HB P07237 1/20 0.35

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
SCHEMBL2595567 1.00 LPL (0.43) LPLLIPGCA1CA2CA9
SCHEMBL12475181 0.87 PNMT (0.46)
SCHEMBL17948747 0.87 ASIC3 (0.46) LPLLIPG
SCHEMBL31371681 0.87 ASIC3 (0.46) LPLLIPG
Hydrochloric Acid SCHEMBL31081659 0.86 ASIC3 (0.45) LPLLIPG
SCHEMBL12503577 0.85 BACE1 (0.38) LPLLIPGBACE1
SCHEMBL16639375 0.80 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL29502333 0.80 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL30860136 0.79 LIPG (0.46) LPLLIPGCA1CA2CA9
SCHEMBL202622 0.79 LIPG (0.46) 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-2024154979-A2 NOVEL HETEROCYCLIC COMPOUNDS 주식회사 이노보테라퓨틱스 2024-07-25 WO disclosed