SCHEMBL29954827

SCHEMBL29954827

CC(=O)n1cc(Cl)c(B(O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.32
HSP90AA1 P07900 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL29951583 0.77 NOTUM (0.30) NOTUM
SCHEMBL29953110 0.74 MEN1 (0.40) HSP90AA1
SCHEMBL29950642 0.72 GAA (0.31)
SCHEMBL29954484 0.69
SCHEMBL8952071 0.68 ELANE (0.36) NOTUMALDH1A1HPGD
SCHEMBL29956170 0.65 ENPP2 (0.31)
SCHEMBL6630157 0.64 NOTUM (0.31) NOTUMALDH1A1HPGD
SCHEMBL15880060 0.64 NOTUM (0.47) NOTUMALDH1A1HPGD
SCHEMBL29955330 0.64
SCHEMBL29956010 0.64

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed