SCHEMBL11397455

SCHEMBL11397455

CC1(C)C(OC(=O)Cl)C1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
BACE1 P56817 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35

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
SCHEMBL11308075 0.87 POLB (0.37) POLBALDH1A1GAAMAPK1TDP1
SCHEMBL11474652 0.81 CES2 (0.34) ALDH1A1GAATDP1HTTCES2
SCHEMBL11399489 0.81 MAPK1 (0.31) MAPK1MAPT
SCHEMBL11406520 0.79 ESR2 (0.36) ALDH1A1HDAC11SLC6A3MAPT
SCHEMBL11394882 0.79 MAPT (0.40) KDM4EALDH1A1GAACES2CES1
SCHEMBL11311893 0.78 CHRM2 (0.35) POLBKDM4EALDH1A1MAPK1CHRM2
SCHEMBL11303200 0.77 HTT (0.39) POLBKDM4EALDH1A1GAAMAPK1
SCHEMBL11303199 0.77 HTT (0.39) POLBKDM4EALDH1A1GAAMAPK1
SCHEMBL9518851 0.73 SMN1; SMN2 (0.38) POLBTDP1MAPTSMN1; SMN2
SCHEMBL3286887 0.69 MAOB (0.44) KDM4EALDH1A1HTTCHRM2CHRM4

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
US-4264606-A Insecticidal and acaricidal phenylcyclo-propane carboxylic acid derivatives and insecticidal and acaricidal compositions thereof NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1981-04-28 US disclosed
US-4215138-A Insecticidal compounds of phenylcyclopropane carboxylic acid esters NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1980-07-29 US disclosed