SCHEMBL29507045

SCHEMBL29507045

C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CCc2ccc(O)cc2)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 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLCO1B3 Q9NPD5 3/20 0.93
SLCO1B1 Q9Y6L6 3/20 0.93
PTPN1 P18031 2/20 0.88
TFPI2 P48307 2/20 0.88
NPY4R P50391 2/20 0.88
PPP5C P53041 2/20 0.88
PPM1A P35813 1/20 0.88
PPP1CC P36873 1/20 0.88
PPP2R2A P63151 1/20 0.88
PPP2R5A Q15172 1/20 0.88
PPM1B O75688 1/20 0.75
KLK7 P49862 1/20 0.36
F2 P00734 3/20 0.34
F11 P03951 2/20 0.34
CPA1 P15085 2/20 0.34
CPN1 P15169 2/20 0.34
CPB2 Q96IY4 2/20 0.34
KRAS P01116 1/20 0.34
MEN1 O00255 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL29349519 0.97 SLCO1B3 (1.00) SLCO1B3SLCO1B1PTPN1TFPI2NPY4R
SCHEMBL30027122 0.97 SLCO1B3 (1.00) SLCO1B3SLCO1B1PTPN1TFPI2NPY4R
SCHEMBL29350648 0.96 PTPN1 (0.95) SLCO1B3SLCO1B1PTPN1TFPI2NPY4R
SCHEMBL29711569 0.96 PTPN1 (0.95) SLCO1B3SLCO1B1PTPN1TFPI2NPY4R
SCHEMBL29350595 0.96 PTPN1 (0.95) SLCO1B3SLCO1B1PTPN1TFPI2NPY4R
SCHEMBL31005304 0.96 PTPN1 (0.95) SLCO1B3SLCO1B1PTPN1TFPI2NPY4R
SCHEMBL29777431 0.96 PTPN1 (0.95) SLCO1B3SLCO1B1PTPN1TFPI2NPY4R
SCHEMBL30788333 0.95 SLCO1B3 (0.96) SLCO1B3SLCO1B1PTPN1TFPI2NPY4R
SCHEMBL38650007 0.95 SLCO1B3 (0.96) SLCO1B3SLCO1B1PTPN1TFPI2NPY4R
SCHEMBL30788332 0.95 SLCO1B3 (0.96) SLCO1B3SLCO1B1PTPN1TFPI2NPY4R

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 10 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-114166985-B Method for detecting multiple biotoxins in marine sediments 厦门大学 2022-09-27 CN claimed
CN-111718412-B Broad-spectrum microcystin monoclonal antibody and preparation method thereof 清华大学 2022-09-13 CN claimed
CN-114166985-A Method for detecting multiple biotoxins in marine sediments 厦门大学 2022-03-11 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-114166985-B Method for detecting multiple biotoxins in marine sediments 厦门大学 2022-09-27 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
CN-114166985-A Method for detecting multiple biotoxins in marine sediments 厦门大学 2022-03-11 CN disclosed