SCHEMBL8321402

SCHEMBL8321402

CC(C)=CC1C(C(=O)OCC2C(=O)C3=C(CCCC3)C2=O)C1(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 4/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 4/20 0.39
TRPV1 Q8NER1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA2A P08913 1/20 0.33
CNR1 P21554 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 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
Tetramethrin SCHEMBL22714265 0.79 LMNA (0.56) LMNACYP1A2CYP2C19CYP3A4CYP2D6
Tetramethrin SCHEMBL7926801 0.79 LMNA (0.56) LMNACYP1A2CYP2C19CYP3A4CYP2D6
Tetramethrin SCHEMBL27009 0.79 LMNA (0.56) LMNACYP1A2CYP2C19CYP3A4CYP2D6
(1R)-Trans-Tetramethrin SCHEMBL2973441 0.79 LMNA (0.56) LMNACYP1A2CYP2C19CYP3A4CYP2D6
Tetramethrin SCHEMBL5883725 0.78 LMNA (0.52) LMNACYP1A2CYP2C19CYP3A4CYP2D6
Tetramethrin SCHEMBL28849516 0.75 LMNA (0.53) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL9717311 0.75 LMNA (0.61) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL5550777 0.74 LMNA (0.45) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL1234452 0.74 LMNA (0.47) LMNACYP1A2CYP2C19CYP3A4CYP2D6
Chrysanthemic Acid, Ethyl Ester SCHEMBL3676624 0.72 LMNA (1.00) LMNACYP1A2CYP2C19CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004066987-A2 USE OF SODIUM CHANNEL MODULATORS FOR TREATING GASTROINTESTINAL TRACT DISORDERS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed
WO-2004066990-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed