SCHEMBL10539701

SCHEMBL10539701

CN(C)C(c1ccccc1)C(C)(C)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.51
AOC3 Q16853 7/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTT P42858 1/20 0.41
HTR2A P28223 3/20 0.40
HRH1 P35367 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
RIPK1 Q13546 1/20 0.38

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
SCHEMBL9320598 0.82 KCNA5 (0.46) KCNA5AOC3KDM4EALDH1A1MEN1
SCHEMBL8907881 0.82 KCNA5 (0.46) KCNA5AOC3KDM4EALDH1A1MEN1
SCHEMBL14663983 0.82 KCNA5 (0.46) KCNA5AOC3KDM4EALDH1A1MEN1
SCHEMBL11861099 0.78 KDM4E (0.46) KCNA5AOC3KDM4EALDH1A1MEN1
SCHEMBL11261712 0.76 KCNA5 (0.43) KCNA5AOC3KDM4EALDH1A1SLC6A2
SCHEMBL17076396 0.75 ATM (0.40) KCNA5AOC3KDM4EMEN1KMT2A
SCHEMBL17076397 0.75 ATM (0.40) KCNA5AOC3KDM4EMEN1KMT2A
SCHEMBL6579332 0.75 KCNA5 (0.45) KCNA5AOC3KDM4EALDH1A1MEN1
SCHEMBL6579342 0.75 KCNA5 (0.45) KCNA5AOC3KDM4EALDH1A1MEN1
SCHEMBL7995729 0.75 KCNA5 (0.53) KCNA5AOC3KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4845272-A Process for the optical resolution of (±)-cis or (±)-trans-permethric acid KURARAY CO., LTD. (JP) 1989-07-04 US disclosed
US-4327038-A Method for preparing optically active 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-27 US disclosed
EP-0034428-A2 A method of resolving optical isomers of 2,2-dimethyl-3-(2,2-dichlorovinyl) cyclopropanecarboxylic acid and a novel salt used in this method SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-08-26 EP disclosed
US-4229593-A Method to prepare (+)-cis-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid FMC CORPORATION (US) 1980-10-21 US disclosed