SCHEMBL29410000

SCHEMBL29410000

CC1(C)CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.41
LIPG Q9Y5X9 13/20 0.41
BACE1 P56817 3/20 0.40
ROCK1 Q13464 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
F11 P03951 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
SCHEMBL2011756 1.00 LPL (0.41) LPLLIPGBACE1ROCK1CA1
SCHEMBL29409998 1.00 LPL (0.41) LPLLIPGBACE1ROCK1CA1
SCHEMBL2010946 0.91 LPL (0.39) LPLLIPGBACE1ROCK1CA1
SCHEMBL2225037 0.89 BACE1 (0.43) LPLLIPGBACE1ROCK1CA1
SCHEMBL31394725 0.84 LPL (0.41) LPLLIPGBACE1ROCK1CA1
SCHEMBL2012175 0.81 LPL (0.44) LPLLIPGBACE1CA1CA2
SCHEMBL29502333 0.81 LPL (0.47) LPLLIPGBACE1ROCK1CA1
SCHEMBL16639375 0.81 LPL (0.47) LPLLIPGBACE1ROCK1CA1
SCHEMBL24335646 0.79 BACE1 (0.44) LPLLIPGBACE1ROCK1CA1
SCHEMBL2016481 0.79 LPL (0.40) LPLLIPGBACE1ROCK1CA1

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
EP-3968983-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2022-03-23 EP disclosed