SCHEMBL28624808

SCHEMBL28624808

Fc1ccc(C2(C3CCCCC3)CCCCC2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.67
SLC6A3 Q01959 18/20 0.67
SLC6A2 P23975 16/20 0.67
CYP2D6 P10635 10/20 0.42
KCNH2 Q12809 8/20 0.42
CYP1A1 P04798 6/20 0.42
CYP1A2 P05177 6/20 0.42
CYP3A4 P08684 5/20 0.42
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 1/20 0.37

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
Ethylene SCHEMBL28629416 0.97 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL29097452 0.89 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL6664581 0.86 SLC6A3 (0.52) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL6664575 0.86 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2CYP3A4
SCHEMBL6689140 0.84 SLC6A3 (0.50) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL7760357 0.84 SLC6A3 (0.53) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL6689139 0.84 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL6524968 0.81 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL6524970 0.81 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL8921684 0.80 SLC6A3 (0.50) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121833-B Synthetic method of water-in-water emulsion drag reducer for fracturing 山东德仕化工有限公司 2021-09-07 CN claimed