SCHEMBL28057200

SCHEMBL28057200

CCC(O)(C(=O)O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CHRM2 P08172 4/20 0.35
CHRM1 P11229 4/20 0.35
KCNH2 Q12809 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM3 P20309 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
ABCB11 O95342 1/20 0.35
ESR1 P03372 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 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
SCHEMBL3013647 0.84 KEAP1 (0.37) KEAP1NFE2L2CHRM2CHRM1KCNH2
SCHEMBL664691 0.82 EPHX1 (0.33) KEAP1NFE2L2CHRM2CHRM1KCNH2
SCHEMBL11812881 0.81 CYP1A2 (0.39) KEAP1NFE2L2CYP1A2EPHX1
SCHEMBL9800626 0.80 RECQL (0.35) KEAP1NFE2L2CHRM2CHRM1KCNH2
SCHEMBL14920977 0.79 EPHX1 (0.33) KEAP1NFE2L2RECQLMEN1KMT2A
SCHEMBL6282906 0.79 KEAP1 (0.39) KEAP1NFE2L2CHRM2CHRM1CYP2D6
SCHEMBL8735978 0.78 KEAP1 (0.37) KEAP1NFE2L2CHRM2CHRM1KCNH2
SCHEMBL5568695 0.78 RECQL (0.39) KEAP1NFE2L2CHRM2CHRM1KCNH2
SCHEMBL17376947 0.78 RECQL (0.39) KEAP1NFE2L2CHRM2CHRM1KCNH2
SCHEMBL25429424 0.77 KEAP1 (0.36) KEAP1NFE2L2CHRM2CHRM1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240224994-A1 INSECT REPELLANT FORMULATION AND METHOD OF USING SAME UNITED INDUSTRIES CORPORATION 2024-07-11 US disclosed
WO-2022251534-A1 INSECT REPELLENT FORMULATION AND METHOD OF USING SAME UNITED INDUSTRIES CORPORATION (US) 2022-12-01 WO disclosed
CN-105754966-A Mutants of PHA synthase derived from Pseudomonas sp.6-19 and method for producing lactate homopolymer or copolymer using the same LG化学株式会社 2016-07-13 CN disclosed