SCHEMBL7955717

SCHEMBL7955717

O=C(O)[C@@H](CC1=CC=CC1)OS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL5968972 0.82 KMT2A (0.46) KMT2AMEN1CA1CA2MMP1
SCHEMBL5968978 0.82 KMT2A (0.46) KMT2AMEN1CA1CA2MMP1
SCHEMBL7955716 0.81 ALDH1A1 (0.48) KMT2AMEN1THRBCA1CA2
SCHEMBL7955761 0.81 ALDH1A1 (0.48) KMT2AMEN1THRBCA1CA2
SCHEMBL9776653 0.76 KMT2A (0.45) KMT2AMEN1THRBGAACA1
SCHEMBL7955714 0.73 KMT2A (0.39) KMT2AMEN1THRBPKMGAA
SCHEMBL8731526 0.70 ALDH1A1 (0.44) KMT2AMEN1THRBLMNA
SCHEMBL10711121 0.69 SMN1; SMN2 (0.49) KMT2AMEN1THRBPKMGAA
SCHEMBL8713493 0.69 KMT2A (0.58) KMT2AMEN1THRBPKMGAA
SCHEMBL19469362 0.69 KMT2A (0.58) KMT2AMEN1THRBPKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172238-B1 Process for manufacturing 1-[3-cyclopentyl-2(R)-[1(R)-hydroxycarbamoyl)-2-(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)ethyl]propionyl]piperidine HOFFMANN-LA ROCHE INC. 2001-01-09 — — US claimed
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