SCHEMBL28699417

SCHEMBL28699417

CC(C)Cc1nccn1CCO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
FPR2 P25090 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ALPG P10696 2/20 0.33
PLAA Q9Y263 1/20 0.33
BRD4 O60885 1/20 0.33
ADRA2C P18825 1/20 0.33
ALPL P05186 1/20 0.32
FDPS P14324 1/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL25067253 0.84 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2GAAPOLB
SCHEMBL15969910 0.79 BRD4 (0.41) ALDH1A1LMNASMN1; SMN2GAAPOLB
SCHEMBL17897203 0.79 GAA (0.42) ALDH1A1LMNASMN1; SMN2GAAPOLB
SCHEMBL26196840 0.79 ALPG (0.48) ALDH1A1LMNAFPR2POLBKMT2A
Acetic Acid SCHEMBL27980279 0.79 SMN1; SMN2 (0.42) ALDH1A1FPR2SMN1; SMN2POLBKMT2A
SCHEMBL17865370 0.79 KCNH2 (0.41) ALDH1A1LMNAFPR2SMN1; SMN2POLB
SCHEMBL13764517 0.78 LMNA (0.39) ALDH1A1LMNAFPR2SMN1; SMN2POLB
Water SCHEMBL9893341 0.78 BRD4 (0.40) ALDH1A1LMNASMN1; SMN2GAAPOLB
SCHEMBL20425451 0.77 KCNH2 (0.42) FPR2ALPGPLAAALPL
Acetic Acid SCHEMBL27980245 0.77 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2POLBKMT2A

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
CN-113993709-A Composition for anti-counterfeit ink, and anti-counterfeit printed matter 住友金属矿山株式会社 2022-01-28 CN disclosed