SCHEMBL31040402

SCHEMBL31040402

CCN(CCCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.60
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
DRD2 P14416 3/20 0.42
CA12 O43570 6/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
ALDH1A1 P00352 2/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
CA7 P43166 1/20 0.35
EPHX1 P07099 1/20 0.35
HTT P42858 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
SCHEMBL8719347 0.90 CA14 (0.68) CA14TDP1MEN1GAAKMT2A
SCHEMBL8021860 0.90 CA14 (0.68) CA14TDP1MEN1GAAKMT2A
SCHEMBL13055410 0.90 CA14 (0.68) CA14TDP1MEN1GAAKMT2A
SCHEMBL8714161 0.90 CA14 (0.68) CA14TDP1MEN1GAAKMT2A
SCHEMBL8850859 0.89 CA14 (0.60) CA14TDP1MEN1GAAKMT2A
SCHEMBL18950461 0.89 CA14 (0.63) CA14TDP1MEN1GAAKMT2A
SCHEMBL25628397 0.89 CA14 (0.63) CA14TDP1MEN1GAAKMT2A
SCHEMBL31329717 0.87 TDP1 (0.69) CA14TDP1MEN1GAAKMT2A
SCHEMBL13055412 0.87 CA14 (0.64) CA14TDP1MEN1GAAKMT2A
SCHEMBL13055400 0.87 CA14 (0.64) CA14TDP1MEN1GAAKMT2A

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-118510788-A Liposoamines 摩登纳特斯有限公司 2024-08-16 CN disclosed