SCHEMBL26334885

SCHEMBL26334885

C=CC1=C(CC)CN(Cc2ccc(OC)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CMA1 P23946 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
GRM2 Q14416 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
MMP1 P03956 1/20 0.39
MMP13 P45452 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
SCHEMBL26114501 0.74 CMA1 (0.56) GAALMNAHTTNPSR1CMA1
SCHEMBL17360667 0.74 CMA1 (0.59) GAALMNAHTTNPSR1CMA1
SCHEMBL26538697 0.73 GAA (0.48) GAALMNAHTTNPSR1CMA1
SCHEMBL26111496 0.72 GAA (0.50) GAALMNAHTTNPSR1CMA1
SCHEMBL26115953 0.72 GAA (0.50) GAALMNAHTTNPSR1CMA1
SCHEMBL26111499 0.72 GAA (0.50) GAALMNAHTTNPSR1CMA1
SCHEMBL27721848 0.71 CMA1 (0.51) GAALMNAHTTNPSR1CMA1
SCHEMBL32686312 0.70 SMN1; SMN2 (0.43) GAALMNAHTTNPSR1CMA1
SCHEMBL32686496 0.70 POLB (0.44) GAALMNAHTTNPSR1CMA1
SCHEMBL28946779 0.69 ALDH1A1 (0.52) GAALMNANPSR1CMA1GSK3A

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
WO-2023170608-A1 ACTIVATORS OF EFFECTOR T CELLS ORUM THERAPEUTICS, INC. (KR) 2023-09-14 WO disclosed