SCHEMBL29065870

SCHEMBL29065870

COc1ccccc1C(Nc1ccc(C)cc1)C1CCCCC1=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.55
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 1/20 0.38
CCR3 P51677 1/20 0.36
HTR1E P28566 1/20 0.36
S1PR3 Q99500 1/20 0.36
TXNRD1 Q16881 1/20 0.36

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
SCHEMBL29065860 0.92 CA1 (0.66) CA1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL29065877 0.85 MAPT (0.60) CA1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL29065874 0.82 RAB9A (0.44) CA1HPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL29065875 0.82 CA1 (0.82) CA1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL29065862 0.81 CA1 (0.83) CA1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL28015291 0.79 CA1 (0.82) CA1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL7960098 0.75 MAPT (0.47) CA1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL29065873 0.75 MAPT (0.77) CA1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL29065896 0.74 MAPT (0.69) CA1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL30530203 0.74 MAPT (0.69) CA1MAPTHPGDKDM4ESMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116715596-B Method for synthesizing beta-aminoketone compound by synergistic catalysis of cyclopentadienyl titanium/Bronsted acid 宁夏师范学院 2025-01-14 CN disclosed
CN-116715596-A Method for synthesizing beta-aminoketone compound by synergistic catalysis of cyclopentadienyl titanium/Bronsted acid 宁夏师范学院 2023-09-08 CN disclosed