SCHEMBL16599213

SCHEMBL16599213

NCCCC[C@@H](C(=O)O)N(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 4/20 0.47
▸ MC4R P32245 2/20 0.44
▸ CPB2 Q96IY4 2/20 0.40
▸ MMP2 P08253 2/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ MC5R P33032 1/20 0.38
▸ MC3R P41968 1/20 0.38
▸ CPA1 P15085 3/20 0.38

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
SCHEMBL16599212 1.00 EPOR (0.47) EPORMC4RCPB2MMP2MMP9
SCHEMBL2723866 0.80 EPOR (0.59) EPORMC4RCPB2MMP2MMP9
SCHEMBL2723861 0.80 EPOR (0.59) EPORMC4RCPB2MMP2MMP9
SCHEMBL594167 0.80 CRHBP (0.43) CRHBPCRHR2CPA1
SCHEMBL594166 0.80 CRHBP (0.43) CRHBPCRHR2CPA1
SCHEMBL6742334 0.79 EPOR (0.46) EPORCPB2LTA4H
SCHEMBL7129391 0.79 EPOR (0.49) EPORMC4RCPB2MMP2MMP9
SCHEMBL19100377 0.79 EPOR (0.49) EPORMC4RCPB2MMP2MMP9
SCHEMBL4088184 0.79 CPA3 (0.42) CRHBPCRHR2CPA1
SCHEMBL4088187 0.79 CPA3 (0.42) CRHBPCRHR2CPA1

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
EP-4371116-A2 METHODS FOR OPTIMISING PROTEIN PRODUCTION United Kingdom Research and Innovation (GB) 2024-05-22 — — EP disclosed
EP-4347799-A1 MICROORGANISMS AND USES THEREOF United Kingdom Research and Innovation (GB) 2024-04-10 — — EP disclosed
WO-2023285596-A2 METHODS FOR OPTIMISING PROTEIN PRODUCTION UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2023-01-19 — — WO disclosed
WO-2021127547-A2 MONOCLONAL ANTIBODY FUSIONS QUIDEL CORPORATION (US) 2021-06-24 — — WO disclosed
WO-2019005973-A1 SYNTHETASE VARIANTS FOR INCORPORATION OF BIPHENYLALANINE INTO A PEPTIDE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-03 — — WO disclosed
WO-2015048364-A1 RECOMBINANT CELLS AND ORGANISMS HAVING PERSISTENT NONSTANDARD AMINO ACID DEPENDENCE AND METHODS OF MAKING THEM PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-04-02 — — WO disclosed
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