SCHEMBL13198752

SCHEMBL13198752

C/C(C#N)=C/[C@@H]1[C@@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA2A P08913 1/20 0.30
CNR1 P21554 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
Tetramethrin SCHEMBL27009 0.88 LMNA (0.56) LMNACYP1A2CYP3A4CYP2D6CYP2C9
(1R)-Trans-Tetramethrin SCHEMBL2973441 0.88 LMNA (0.56) LMNACYP1A2CYP3A4CYP2D6CYP2C9
Tetramethrin SCHEMBL22714265 0.88 LMNA (0.56) LMNACYP1A2CYP3A4CYP2D6CYP2C9
Tetramethrin SCHEMBL7926801 0.88 LMNA (0.56) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13198764 0.86 LMNA (0.47) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11625926 0.84 LMNA (0.45) LMNACYP1A2CYP3A4CYP2D6CYP2C9
Tetramethrin SCHEMBL28849516 0.83 LMNA (0.53) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4752020 0.78 LMNA (0.39) LMNA
Tetramethrin SCHEMBL5883725 0.77 LMNA (0.52) LMNACYP1A2CYP3A4CYP2D6CYP2C9
Tetramethrin SCHEMBL4422842 0.77 LMNA (0.46) LMNACYP1A2CYP3A4CYP2D6CYP2C9

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
WO-2010087419-A2 ESTER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-05 WO disclosed