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Microcystin-Lr

Microcystin-Lr

SCHEMBL21245231

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 1.00
▸ TFPI2 P48307 2/20 1.00
▸ NPY4R P50391 2/20 1.00
▸ PPP5C P53041 2/20 1.00
▸ PPM1A P35813 1/20 1.00
▸ PPP1CC P36873 1/20 1.00
▸ PPP2R2A P63151 1/20 1.00
▸ PPP2R5A Q15172 1/20 1.00
▸ SLCO1B3 Q9NPD5 3/20 0.89
▸ SLCO1B1 Q9Y6L6 3/20 0.89
▸ PPM1B O75688 1/20 0.86
▸ KLK7 P49862 2/20 0.38
▸ ALB P02768 1/20 0.34
▸ F12 P00748 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ MC4R P32245 1/20 0.33
▸ MC3R P41968 1/20 0.33
▸ APLNR P35414 3/20 0.33
▸ MEN1 O00255 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
Microcystin-Lr SCHEMBL29349513 1.00 PTPN1 (1.00) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29897131 1.00 PTPN1 (1.00) PTPN1TFPI2NPY4RPPP5CPPM1A
Microcystin-Lr SCHEMBL21245230 1.00 PTPN1 (1.00) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29350648 0.97 PTPN1 (0.95) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29711569 0.97 PTPN1 (0.95) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL31005304 0.97 PTPN1 (0.95) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29350595 0.97 PTPN1 (0.95) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29777431 0.97 PTPN1 (0.95) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL27316275 0.97 PTPN1 (0.94) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL38650007 0.96 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414329-B2 Treatment of cyanotoxin-containing water EVONIK OPERATIONS GMBH (DE) 2022-08-16 — — US disclosed
US-20190248679-A1 TREATMENT OF CYANOTOXIN-CONTAINING WATER PEROXYCHEM LLC (US) 2019-08-15 — — US disclosed