SCHEMBL29953792

SCHEMBL29953792

Cc1ccc(-c2ccccc2B(O)O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
TDP1 Q9NUW8 3/20 0.39
TP53 P04637 2/20 0.39
PDK2 Q15119 2/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR2 Q92731 1/20 0.36
CA2 P00918 1/20 0.35
LPL P06858 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
SCHEMBL29951107 0.85 ELANE (0.42) ELANETDP1TP53PDK2MAPT
SCHEMBL3106465 0.81 GRM2 (0.43) PDK2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL969623 0.81 ENPP2 (0.41) NPC1HPGDRAB9ASMN1; SMN2ENPP2
SCHEMBL29957084 0.81 ENPP2 (0.41) NPC1HPGDRAB9ASMN1; SMN2ENPP2
SCHEMBL11729295 0.79 ELANE (0.52) ELANETDP1TP53PDK2MAPT
SCHEMBL29590360 0.79 ELANE (0.52) ELANETDP1TP53PDK2MAPT
SCHEMBL12538858 0.78 PDK2 (0.42) PDK2L3MBTL1ENPP2CYP2A6
SCHEMBL910658 0.78 ENPP2 (0.50) MAPTCA2LIPGENPP2
SCHEMBL29362536 0.76 TP53 (0.52) ELANETDP1TP53MAPTGAA
SCHEMBL1828915 0.76 TP53 (0.52) ELANETDP1TP53MAPTGAA

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