SCHEMBL29793992

SCHEMBL29793992

C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)CC(=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 0.90

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 3/20 0.90
PTPN1 P18031 2/20 0.90
TFPI2 P48307 2/20 0.90
PPP5C P53041 2/20 0.90
PPM1A P35813 1/20 0.90
PPP1CC P36873 1/20 0.90
PPP2R2A P63151 1/20 0.90
PPP2R5A Q15172 1/20 0.90
SLCO1B3 Q9NPD5 3/20 0.80
SLCO1B1 Q9Y6L6 3/20 0.80
PPM1B O75688 1/20 0.76
KLK7 P49862 1/20 0.38
F12 P00748 2/20 0.37
MEN1 O00255 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
KRAS P01116 1/20 0.35
APLNR P35414 2/20 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
SCHEMBL29793919 0.97 PTPN1 (0.85) NPY4RPTPN1TFPI2PPP5CPPM1A
Microcystin-Lr SCHEMBL21245231 0.94 PTPN1 (1.00) NPY4RPTPN1TFPI2PPP5CPPM1A
Microcystin-Lr SCHEMBL21245230 0.94 PTPN1 (1.00) NPY4RPTPN1TFPI2PPP5CPPM1A
Microcystin-Lr SCHEMBL29349513 0.94 PTPN1 (1.00) NPY4RPTPN1TFPI2PPP5CPPM1A
SCHEMBL29897131 0.94 PTPN1 (1.00) NPY4RPTPN1TFPI2PPP5CPPM1A
SCHEMBL29350595 0.92 PTPN1 (0.95) NPY4RPTPN1TFPI2PPP5CPPM1A
SCHEMBL29777431 0.92 PTPN1 (0.95) NPY4RPTPN1TFPI2PPP5CPPM1A
SCHEMBL29350648 0.92 PTPN1 (0.95) NPY4RPTPN1TFPI2PPP5CPPM1A
SCHEMBL31005304 0.92 PTPN1 (0.95) NPY4RPTPN1TFPI2PPP5CPPM1A
SCHEMBL29711569 0.92 PTPN1 (0.95) NPY4RPTPN1TFPI2PPP5CPPM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-111718412-B Broad-spectrum microcystin monoclonal antibody and preparation method thereof 清华大学 2022-09-13 CN disclosed