SCHEMBL31005304

SCHEMBL31005304

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

nearest known ligand 0.95

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.95
▸ TFPI2 P48307 2/20 0.95
▸ NPY4R P50391 2/20 0.95
▸ PPP5C P53041 2/20 0.95
▸ PPM1A P35813 1/20 0.95
▸ PPP1CC P36873 1/20 0.95
▸ PPP2R2A P63151 1/20 0.95
▸ PPP2R5A Q15172 1/20 0.95
▸ SLCO1B3 Q9NPD5 3/20 0.93
▸ SLCO1B1 Q9Y6L6 3/20 0.93
▸ PPM1B O75688 1/20 0.81
▸ MC4R P32245 1/20 0.35
▸ MC3R P41968 1/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 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
SCHEMBL29711569 1.00 PTPN1 (0.95) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29777431 1.00 PTPN1 (0.95) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29350648 1.00 PTPN1 (0.95) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29350595 1.00 PTPN1 (0.95) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL30788332 0.98 SLCO1B3 (0.96) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL30788333 0.98 SLCO1B3 (0.96) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL38650007 0.98 SLCO1B3 (0.96) PTPN1TFPI2NPY4RPPP5CPPM1A
Microcystin-Lr SCHEMBL29349513 0.97 PTPN1 (1.00) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL30859111 0.97 PTPN1 (0.91) PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29897131 0.97 PTPN1 (1.00) 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
CN-118445766-A Index-driven medium-and-long-term wind power curve closed-loop feedback generation method 西安交通大学 2024-08-06 — — CN disclosed
EP-3845535-B1 HYDRAZINOPURINE COMPOUND AND TRIAZOLOPURINE COMPOUND FOR INHIBITING XANTHINE OXIDASE TERA STONE CO LTD (JP) 2024-06-26 — — EP disclosed
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