SCHEMBL29952678

SCHEMBL29952678

O=S(=O)(c1ccc(B(O)O)cc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
NAMPT P43490 6/20 0.42
DDIT3 P35638 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.39
MMP8 P22894 3/20 0.38
MMP13 P45452 3/20 0.38
MMP1 P03956 2/20 0.38
CYP2C9 P11712 1/20 0.38
HTR2A P28223 2/20 0.37
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
MAPT P10636 1/20 0.37
PIP4K2A P48426 1/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL2414928 0.91 ENPP2 (0.53) ENPP2DDIT3MMP13HTR2AMAPT
SCHEMBL29952232 0.83 ENPP2 (0.46) ENPP2NAMPTHTR2AHTR2CKCNH2
SCHEMBL29951042 0.81 DRD2 (0.44) ENPP2
SCHEMBL16093162 0.81 APLNR (0.44) ENPP2MMP8MMP13MMP1
SCHEMBL31518328 0.79 NAMPT (0.45) NAMPTDDIT3PIK3C3MMP8MMP13
SCHEMBL9576066 0.79 ESR1 (0.47) ENPP2NAMPTDDIT3PIK3C3MMP8
SCHEMBL31518353 0.79 LMNA (0.45) NAMPTDDIT3PIK3C3MMP8MMP13
SCHEMBL776895 0.79 MAPT (0.55) MMP8MMP13MMP1HTR2AMAPT
SCHEMBL2924761 0.77 LMNA (0.46) ENPP2NAMPTDDIT3PIK3C3MMP8
SCHEMBL777971 0.77 MAPT (0.56) MMP8MMP13MMP1HTR2AMAPT

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