SCHEMBL29006972

SCHEMBL29006972

CCCCCCOC(=O)C(CCCCCC)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.43
CHRM4 P08173 5/20 0.43
CHRM1 P11229 5/20 0.43
CHRM3 P20309 5/20 0.43
NAAA Q02083 4/20 0.41
EPHX2 P34913 1/20 0.40
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL20918161 0.80 NAAA (0.42) NAAAEPHX2EPHX1
SCHEMBL27861179 0.79 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3EPHX2
Hydrochloric Acid SCHEMBL29006961 0.79 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL28333420 0.78 NAAA (0.41) NAAAEPHX2EPHX1
SCHEMBL16732114 0.75 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL10935419 0.75 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL16732288 0.74 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL10788984 0.74 NAAA (0.37) NAAAEPHX1TSHR
SCHEMBL16732097 0.73 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL2532080 0.73 NAAA (0.50) NAAAEPHX1TSHR

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-116194144-A Prodrugs of phosphoramide nucleotide analogs and pharmaceutical uses thereof 吉利德科学公司 2023-05-30 CN disclosed