SCHEMBL31489807

SCHEMBL31489807

CC(C)(C)c1cc(CBr)cc(C=O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 4/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
BLM P54132 2/20 0.50
ATM Q13315 2/20 0.50
HIF1A Q16665 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
USP2 O75604 1/20 0.50
CYP2D6 P10635 1/20 0.50
GAA P10253 4/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 3/20 0.41
GSR P00390 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2461602 0.86 ALDH1A1 (0.53) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL4143769 0.85 ALDH1A1 (0.51) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL917208 0.83 ALDH1A1 (0.50) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL29475419 0.83 ALDH1A1 (0.50) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL1163958 0.82 ALDH1A1 (0.59) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL12904884 0.81 ALDH1A1 (0.51) ALDH1A1MAPTTSHRMAPK1MEN1
Hydrochloric Acid SCHEMBL918378 0.80 ALDH1A1 (0.50) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL15151745 0.78 GAA (0.46) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL310707 0.77 ERN1 (0.58) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL31345777 0.77 ERN1 (0.58) ALDH1A1MAPTTSHRMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798330-A Imidazolyl-containing ionic liquid and pyridine ring Salen metal complex material 福州大学 2025-04-11 CN claimed
CN-122006804-A Preparation method of triethylamine-based ionic liquid functionalized Salen material and application of triethylamine-based ionic liquid functionalized Salen material in CO2Application in cycloaddition conversion 福州大学 2026-05-12 CN disclosed
CN-119798330-A Imidazolyl-containing ionic liquid and pyridine ring Salen metal complex material 福州大学 2025-04-11 CN disclosed