SCHEMBL29957084

SCHEMBL29957084

Cc1ccccc1-c1ccccc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.41
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.41
HTR7 P34969 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PLA2G7 Q13093 1/20 0.39
BRD4 O60885 1/20 0.37
HPGD P15428 1/20 0.36
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 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
SCHEMBL969623 1.00 ENPP2 (0.41) ENPP2TSHRACHEHTR7NPC1
SCHEMBL910658 0.87 ENPP2 (0.50) ENPP2ORAI1ORAI2ORAI3
SCHEMBL12270932 0.86 HTR7 (0.38) ENPP2TSHRACHEHTR7NPC1
SCHEMBL29951003 0.85 TRPA1 (0.41) ENPP2TSHRACHE
SCHEMBL18576541 0.85 ENPP2 (0.38) ENPP2TSHRACHEHTR7NPC1
SCHEMBL28704817 0.82 MYC (0.50) ENPP2TSHRACHEHTR7
SCHEMBL29953792 0.81 ELANE (0.42) ENPP2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL29951107 0.81 ELANE (0.42) ENPP2NPC1RAB9ASMN1; SMN2PLA2G7
SCHEMBL29392408 0.79 TSHR (0.50) ENPP2TSHRACHEORAI1ORAI2
SCHEMBL28083714 0.79 TSHR (0.50) ENPP2TSHRACHEORAI1ORAI2

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