SCHEMBL20522201

SCHEMBL20522201

O=C(O)[C@H](Cc1ccc(O)c(O)c1)N(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM6B O15054 1/20 0.47
▸ SLC7A5 Q01650 2/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SERPINE1 P05121 1/20 0.42
▸ BCHE P06276 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ IDH1 O75874 1/20 0.41

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
SCHEMBL20522200 1.00 KDM6B (0.47) KDM6BSLC7A5ALOX15KDM4EUSP2
SCHEMBL20856984 0.86 FNTA (0.47) SLC7A5CRHBPCRHR2CPA1
SCHEMBL30311959 0.81 KDM6B (0.54) KDM6BSLC7A5ALOX15KDM4EUSP2
SCHEMBL29865995 0.79 KDM6B (0.55) KDM6BSLC7A5ALOX15KDM4EUSP2
SCHEMBL14835847 0.79 KDM6B (0.43) KDM6BSLC7A5ALOX15KDM4EUSP2
SCHEMBL594167 0.78 CRHBP (0.43) CRHBPCRHR2CPA1
SCHEMBL594166 0.78 CRHBP (0.43) CRHBPCRHR2CPA1
SCHEMBL4088184 0.77 CPA3 (0.42) CRHBPCRHR2CPA1
SCHEMBL4088187 0.77 CPA3 (0.42) CRHBPCRHR2CPA1
SCHEMBL7437352 0.76 HSD17B10 (0.45) KDM6BSLC7A5ALOX15KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601323-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2020-02-05 — — EP claimed
WO-2018178013-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2018-10-04 — — WO claimed
EP-3601323-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2020-02-05 — — EP disclosed
WO-2018178013-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2018-10-04 — — WO disclosed
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