SCHEMBL29958012

SCHEMBL29958012

CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.44
SRD5A2 P31213 1/20 0.44
ALOX5 P09917 1/20 0.42
NR1H3 Q13133 1/20 0.41
MAOB P27338 2/20 0.41
YAP1 P46937 2/20 0.41
GHSR Q92847 4/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
ACSS2 Q9NR19 1/20 0.39

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
SCHEMBL3948587 1.00 NR1H2 (0.44) NR1H2SRD5A2ALOX5NR1H3MAOB
SCHEMBL1180319 0.92 SRD5A2 (0.52) NR1H2SRD5A2ALOX5NR1H3MAOB
SCHEMBL12996827 0.85 NR1H2 (0.43) NR1H2NR1H3MEN1KMT2A
SCHEMBL17355643 0.84 SRD5A2 (0.51) NR1H2SRD5A2ALOX5NR1H3MAOB
SCHEMBL12829958 0.84 NR1H2 (0.47) NR1H2NR1H3MAOB
SCHEMBL25678073 0.82 NR1H2 (0.44) NR1H2SRD5A2ALOX5NR1H3MAOB
SCHEMBL29953334 0.82 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL513258 0.82 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL23970708 0.80 GRM5 (0.37) NR1H2NR1H3YAP1MEN1KMT2A
SCHEMBL29642333 0.80 GRM5 (0.37) NR1H2NR1H3YAP1MEN1KMT2A

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