SCHEMBL28130810

SCHEMBL28130810

CCCC=C(C(=O)OC)C1CCC(N)CC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.35
SMYD3 Q9H7B4 2/20 0.32

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
SCHEMBL27598695 0.84 NAAA (0.38)
SCHEMBL28130809 0.82 GRIK1 (0.37) TLR2SMYD3
SCHEMBL4959891 0.74 BACE1 (0.34)
SCHEMBL29117637 0.71 SMN1; SMN2 (0.38)
SCHEMBL29117884 0.70 SMN1; SMN2 (0.40)
SCHEMBL7623956 0.68 ALDH1A1 (0.32)
SCHEMBL15198115 0.68 ALDH1A1 (0.32)
SCHEMBL7623970 0.68 ALDH1A1 (0.32)
SCHEMBL4007911 0.68 GLA (0.39)
SCHEMBL25887654 0.67 MEN1 (0.33)

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
CN-106565510-B The preparation method of trans 4- Amino-cyclohexvls acetic ester derivative 浙江京新药业股份有限公司 2018-04-27 CN disclosed
CN-106565510-A Preparation method for trans 4-amino-cyclohexyl acetate derivative 浙江京新药业股份有限公司 2017-04-19 CN disclosed