SCHEMBL29080210

SCHEMBL29080210

CCC/C=C/COC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
TK1 P04183 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
TSHR P16473 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR1A P08908 1/20 0.47
CYP2D6 P10635 1/20 0.47
SCN1A P35498 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL29080212 1.00 LMNA (0.59) LMNATK1TDP1TSHRSLC6A3
SCHEMBL18412481 0.90 LMNA (0.56) LMNATK1TDP1TSHRSLC6A3
SCHEMBL28583486 0.90 LMNA (0.56) LMNATK1TDP1TSHRSLC6A3
SCHEMBL30211175 0.89 LMNA (0.54) LMNATK1TDP1KMT2AALDH1A1
SCHEMBL25216050 0.89 LMNA (0.53) LMNATK1TDP1TSHRSLC6A3
SCHEMBL27009758 0.89 LMNA (0.53) LMNATK1TDP1TSHRSLC6A3
SCHEMBL15869137 0.88 LMNA (0.53) LMNATDP1TSHRALDH1A1CYP1A2
SCHEMBL8078151 0.88 TDP1 (0.61) LMNATK1TDP1TSHRSLC6A3
SCHEMBL8522569 0.88 TDP1 (0.61) LMNATK1TDP1TSHRSLC6A3
SCHEMBL8522570 0.88 TDP1 (0.61) LMNATK1TDP1TSHRSLC6A3

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-116806892-A Production method of high-aroma low-caffeine green tea 河南农业大学 2023-09-29 CN disclosed