SCHEMBL8991325

SCHEMBL8991325

CCCOS(=O)(=O)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 2/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.30

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
SCHEMBL17443158 0.86 CA1 (0.46) CA1CA2KMT2A
SCHEMBL5006830 0.84 KDM4E (0.42) KDM4ECA1CA2KMT2AALDH1A1
SCHEMBL29228948 0.82 KDM4E (0.41) KDM4ECA1CA2KMT2AALDH1A1
SCHEMBL15388571 0.81 KDM4E (0.39) KDM4EKMT2AALDH1A1MAPTUSP2
SCHEMBL709157 0.77 CA12 (0.45) KDM4ECA1CA2ALDH1A1MAPT
SCHEMBL27263918 0.76 CA12 (0.43) KDM4ECA1CA2ALDH1A1MAPT
SCHEMBL27416946 0.74 CA1 (0.36) CA1CA2
Water SCHEMBL27737003 0.74 CA12 (0.42) KDM4ECA1CA2ALDH1A1MAPT
SCHEMBL28106637 0.73 CA1 (0.30) CA1CA2
SCHEMBL29998153 0.73 KDM4E (0.46) KDM4EKMT2AALDH1A1MAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110346316-A It is coupled the method and assay kit of pyruvate oxidation enzymatic determination sialic acid (SIA) 浙江力耐得传动科技有限公司 2019-10-18 CN claimed
CN-110366431-A Maytansinoid derivatives with self-cleaving peptide linker and conjugates thereof 伊缪诺金公司 2019-10-22 CN disclosed
CN-106443006-A Methods and compositions comprising non-natural amino acids AMBRX公司 2017-02-22 CN disclosed
CN-105669593-A Barium base metal organic framework material preparation method 中国科学院大连化学物理研究所 2016-06-15 CN disclosed
EP-0717645-A1 REDUCTION OF SKIN IRRITATION AND RESISTANCE DURING ELECTROTRANSPORT ALZA CORPORATION (US) 1996-06-26 EP disclosed
WO-1995006497-A1 REDUCTION OF SKIN IRRITATION AND RESISTANCE DURING ELECTROTRANSPORT ALZA CORPORATION (US) 1995-03-09 WO disclosed