SCHEMBL29793867

SCHEMBL29793867

C=C1C(=O)N[C@H](C)C(=O)N[C@@H](C[C@@H](C)CC)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C

nearest known ligand 0.92

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.92
TFPI2 P48307 2/20 0.92
NPY4R P50391 2/20 0.92
PPP5C P53041 2/20 0.92
PPM1A P35813 1/20 0.92
PPP1CC P36873 1/20 0.92
PPP2R2A P63151 1/20 0.92
PPP2R5A Q15172 1/20 0.92
SLCO1B3 Q9NPD5 3/20 0.86
SLCO1B1 Q9Y6L6 3/20 0.86
PPM1B O75688 1/20 0.78
KLK7 P49862 1/20 0.34
MC4R P32245 1/20 0.33
MC3R P41968 1/20 0.33
MEN1 O00255 3/20 0.32
F2 P00734 2/20 0.32
F12 P00748 1/20 0.31

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
SCHEMBL29711569 0.96 PTPN1 (0.95) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29777431 0.96 PTPN1 (0.95) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL31005304 0.96 PTPN1 (0.95) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29350648 0.96 PTPN1 (0.95) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29350595 0.96 PTPN1 (0.95) PTPN1TFPI2NPY4RPPP5CPPM1A
Microcystin-Lr SCHEMBL21245231 0.96 PTPN1 (1.00) PTPN1TFPI2NPY4RPPP5CPPM1A
Microcystin-Lr SCHEMBL29349513 0.96 PTPN1 (1.00) PTPN1TFPI2NPY4RPPP5CPPM1A
Microcystin-Lr SCHEMBL21245230 0.96 PTPN1 (1.00) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29897131 0.96 PTPN1 (1.00) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL38650007 0.95 SLCO1B3 (0.96) PTPN1TFPI2NPY4RPPP5CPPM1A

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-115200968-A Method for purifying various cyanobacteria toxins from algal bloom water body 深圳市环境科学研究院 2022-10-18 CN claimed
CN-111718412-B Broad-spectrum microcystin monoclonal antibody and preparation method thereof 清华大学 2022-09-13 CN claimed
CN-117907482-A Tandem solid phase extraction-liquid chromatography-tandem mass spectrometry detection method for simultaneously determining four types of cyanobacteria toxins in water body 深圳市疾病预防控制中心(深圳市卫生检验中心、深圳市预防医学研究所) 2024-04-19 CN disclosed
CN-115200968-A Method for purifying various cyanobacteria toxins from algal bloom water body 深圳市环境科学研究院 2022-10-18 CN disclosed
CN-111718412-B Broad-spectrum microcystin monoclonal antibody and preparation method thereof 清华大学 2022-09-13 CN disclosed
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 US disclosed