SCHEMBL28509359

SCHEMBL28509359

CCCCC(O)(CCC)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
KCNH2 Q12809 1/20 0.33
CNR1 P21554 1/20 0.33
NAAA Q02083 2/20 0.33
EPHX1 P07099 7/20 0.32
SIGMAR1 Q99720 2/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL28206886 0.85 CYP1A2 (0.41) CYP1A2CHRM2CYP2D6CHRM1KCNH2
SCHEMBL28398445 0.83 CYP1A2 (0.37) CYP1A2CHRM2CYP2D6CHRM1KCNH2
SCHEMBL11863845 0.82 CYP1A2 (0.42) CYP1A2CNR1NAAAEPHX1SIGMAR1
Benzene SCHEMBL28876354 0.82 CHRM2 (0.39) CYP1A2CHRM2CYP2D6CHRM1KCNH2
SCHEMBL26103865 0.81 CYP1A2 (0.33) CYP1A2CHRM2CYP2D6CHRM1KCNH2
SCHEMBL10306785 0.80 FDPS (0.33)
SCHEMBL22206955 0.79 CYP1A2 (0.46) CYP1A2CHRM2CYP2D6CHRM1KCNH2
SCHEMBL6866115 0.78 CYP1A2 (0.45) CYP1A2CHRM2CYP2D6CHRM1KCNH2
Methane SCHEMBL28300668 0.78 CYP1A2 (0.45) CYP1A2CHRM2CYP2D6CHRM1KCNH2
SCHEMBL26106836 0.77 CYP1A2 (0.33) CYP1A2

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
CN-115812710-A Insect repellent composition comprising one or more insect repellent fatty acids having 9 to 21 carbon atoms 长荣置地有限公司 2023-03-21 CN disclosed
CN-112118739-B Insect repellent composition comprising one or more insect repellent fatty acids having 9 to 21 carbon atoms 长荣置地有限公司 2023-01-10 CN disclosed
CN-112118739-A Insect repellent composition comprising one or more insect repellent fatty acids having 9 to 21 carbon atoms 长荣置地有限公司 2020-12-22 CN disclosed