SCHEMBL31035610

SCHEMBL31035610

COc1c(B2OC(C)(C)C(C)(C)O2)ccc(O)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.40
CA2 P00918 4/20 0.40
ALDH1A1 P00352 3/20 0.37
LCK P06239 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
CA9 Q16790 4/20 0.35
ERN1 O75460 6/20 0.33
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 0.33
HPGD P15428 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 2/20 0.33
CA7 P43166 2/20 0.33
CA3 P07451 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
SCHEMBL31035400 0.81 ERN1 (0.37) CA1CA2CA9ERN1CA12
SCHEMBL30009552 0.81 CA1 (0.39) CA1CA2ALDH1A1MAPTCA9
SCHEMBL31035690 0.79 LPL (0.35) CA1CA2CA9ERN1CA12
SCHEMBL31035871 0.79 CA1 (0.34) CA1CA2CA9ERN1CA12
SCHEMBL31035529 0.77 CA1 (0.33) CA1CA2CA9ERN1CA12
SCHEMBL31562697 0.77 ERN1 (0.51) CA1CA2ALDH1A1CA9ERN1
SCHEMBL31035129 0.76 CA1 (0.36) CA1CA2CA9ERN1TRIM24
SCHEMBL31562236 0.74 ERN1 (0.53) CA1CA2ALDH1A1LCKGLA
SCHEMBL20742322 0.74 CA1 (0.33) CA1CA2ALDH1A1CA9TRIM24
SCHEMBL1722908 0.74 CA1 (0.41) CA1CA2ALDH1A1MAPTCA9

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
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed