SCHEMBL29951063

SCHEMBL29951063

Cc1cc(OCc2ccccc2)cc(B(O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.51
LIPE Q05469 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAOB P27338 4/20 0.45
TSPO P30536 1/20 0.44
ENPP2 Q13822 1/20 0.44
ALOX5 P09917 1/20 0.44
SPHK1 Q9NYA1 2/20 0.43
SPHK2 Q9NRA0 1/20 0.43
CYP4F2 P78329 1/20 0.43

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
SCHEMBL16332337 0.89 MEN1 (0.59) LIPEMEN1KMT2ACYP1A2LMNA
SCHEMBL13841458 0.83 GRM5 (0.62) GRM5MEN1KMT2ACYP1A2LMNA
SCHEMBL1072784 0.83 GRM5 (0.62) GRM5MEN1KMT2ACYP1A2LMNA
SCHEMBL2561397 0.82 SMN1; SMN2 (0.48) GRM5MAOBTSPOENPP2
SCHEMBL2504564 0.81 MEN1 (0.47) LIPEMEN1KMT2ACYP1A2LMNA
SCHEMBL29778401 0.81 MRGPRX4 (0.51) LIPEMEN1KMT2ACYP1A2LMNA
SCHEMBL2556339 0.81 ENPP2 (0.60) GRM5MAOBENPP2
SCHEMBL20371229 0.81 MAOB (0.57) LIPEMEN1KMT2ACYP1A2LMNA
SCHEMBL4516341 0.80 CYP1A2 (0.58) GRM5MEN1KMT2ACYP1A2LMNA
SCHEMBL30994413 0.80 CYP1A2 (0.58) GRM5MEN1KMT2ACYP1A2LMNA

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