SCHEMBL29957585

SCHEMBL29957585

COc1cc(Cl)cc(OC)c1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.48
ENPP2 Q13822 1/20 0.40
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAP3K14 Q99558 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
CXCL12 P48061 1/20 0.36
HPGD P15428 1/20 0.35
GAA P10253 4/20 0.34
MAPT P10636 2/20 0.34
S1PR4 O95977 1/20 0.34
HSP90AA1 P07900 1/20 0.34
G6PD P11413 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL29955180 0.90 ERN1 (0.44) ERN1ENPP2ORAI1ORAI2ORAI3
SCHEMBL13744875 0.90 ERN1 (0.44) ERN1ENPP2ORAI1ORAI2ORAI3
SCHEMBL25608282 0.86 ERN1 (0.42) ERN1ENPP2ORAI1ORAI2ORAI3
SCHEMBL29180725 0.86 ERN1 (0.42) ERN1ENPP2ORAI1ORAI2ORAI3
SCHEMBL8709932 0.79 ACHE (0.52) ERN1ENPP2ORAI1ORAI2ORAI3
SCHEMBL841371 0.79 ALDH1A1 (0.46) ERN1ENPP2ORAI1ORAI2ORAI3
SCHEMBL25295009 0.77 ENPP2 (0.40) ERN1ENPP2ORAI1ORAI2ORAI3
SCHEMBL28394894 0.77 ENPP2 (0.40) ERN1ENPP2ORAI1ORAI2ORAI3
SCHEMBL17376697 0.77 ERN1 (0.48) ERN1ENPP2ORAI1ORAI2ORAI3
SCHEMBL4889447 0.76 ERN1 (0.43) ERN1NPC1KDM4EMAP3K14TRPV4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709724-A1 ANTICONVULSIVE COMPOUNDS AND USES THEREOF Jazz Pharmaceuticals Research UK Limited (GB) 2026-03-18 EP disclosed
WO-2024236275-A1 ANTICONVULSIVE COMPOUNDS AND USES THEREOF JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2024-11-21 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed