SCHEMBL29843293

SCHEMBL29843293

CCc1c(F)c(C)c(F)c(CC)c1COC(=O)[C@@H]1[C@@H](C=C(C)C#N)C1(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 3/20 0.46
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA2A P08913 1/20 0.34
CNR1 P21554 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL29843294 0.96 TDP1 (0.58) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL2058737 0.91 TDP1 (0.65) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL29843302 0.91 TDP1 (0.56) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL358461 0.91 TDP1 (0.65) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL358462 0.91 TDP1 (0.65) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL13198767 0.91 TDP1 (0.65) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL12094064 0.91 TDP1 (0.65) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL29843309 0.89 TDP1 (0.47) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL29843041 0.89 TDP1 (0.60) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL29843282 0.88 TDP1 (0.43) TDP1MEN1KMT2ALMNACYP1A2

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-109195944-B Ester compound and use thereof 大日本除虫菊株式会社 2022-06-14 CN disclosed