SCHEMBL29954425

SCHEMBL29954425

Cc1ccc(NC(=O)OCc2ccccc2)cc1C=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.52
SCD O00767 1/20 0.52
ENPP2 Q13822 3/20 0.51
ROCK2 O75116 1/20 0.50
PTPN1 P18031 1/20 0.48
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
BLK P51451 1/20 0.48
BTK Q06187 1/20 0.48

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
SCHEMBL29952213 0.85 MGLL (0.56) MGLLNPC1RAB9ATP53MAPT
SCHEMBL29952692 0.85 MGLL (0.56) MGLLNPC1RAB9ATP53MAPT
SCHEMBL4875564 0.85 MGLL (0.56) MGLLNPC1RAB9ATP53MAPT
SCHEMBL11766069 0.83 NPC1 (0.72) MGLLNPC1RAB9ATP53MAPT
SCHEMBL29954612 0.82 MGLL (0.56) MGLLNPC1RAB9ATP53MAPT
SCHEMBL12583048 0.82 NPC1 (0.62) MGLLNPC1RAB9ATP53MAPT
SCHEMBL25856302 0.82 MAPT (0.60) MGLLNPC1RAB9ATP53MAPT
SCHEMBL12325529 0.82 MGLL (0.59) MGLLNPC1RAB9ATP53MAPT
SCHEMBL591401 0.82 MGLL (0.59) MGLLNPC1RAB9ATP53MAPT
SCHEMBL24423488 0.81 MGLL (0.58) MGLLNPC1RAB9ATP53MAPT

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