SCHEMBL29956005

SCHEMBL29956005

O=Cc1ccccc1OCC(=O)NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.66
RAB9A P51151 1/20 0.66
PTGDR2 Q9Y5Y4 1/20 0.63
KMT2A Q03164 4/20 0.61
HPGD P15428 3/20 0.61
ALDH1A1 P00352 7/20 0.54
HTT P42858 4/20 0.54
LMNA P02545 3/20 0.54
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 2/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 2/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL2560739 0.86 MAPT (0.65) SMN1; SMN2RAB9APTGDR2KMT2AHPGD
SCHEMBL29954842 0.84 KMT2A (0.59) SMN1; SMN2RAB9AKMT2AHPGDALDH1A1
SCHEMBL29955221 0.82 PTGDR2 (0.62) SMN1; SMN2RAB9APTGDR2KMT2AHPGD
SCHEMBL2563006 0.81 ALDH1A1 (0.71) SMN1; SMN2RAB9AHPGDALDH1A1HTT
SCHEMBL7365741 0.81 PTGDR2 (0.60) SMN1; SMN2RAB9APTGDR2KMT2AHPGD
SCHEMBL9275347 0.81 SMN1; SMN2 (0.72) SMN1; SMN2RAB9AKMT2AHPGDALDH1A1
SCHEMBL2558036 0.80 PTGDR2 (0.59) SMN1; SMN2RAB9APTGDR2KMT2AHPGD
SCHEMBL15332808 0.80 PTGDR2 (0.59) SMN1; SMN2RAB9APTGDR2KMT2AHPGD
SCHEMBL2562735 0.79 PTGDR2 (0.67) SMN1; SMN2RAB9APTGDR2KMT2AHPGD
SCHEMBL24590651 0.79 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AKMT2AHPGDALDH1A1

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