SCHEMBL1668693

SCHEMBL1668693

N[C@@H](Cc1cnc[nH]1)C(=O)OCCO

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.63
▸ SLC7A5 Q01650 1/20 0.63
▸ HRH4 Q9H3N8 3/20 0.49
▸ HRH3 Q9Y5N1 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ BLM P54132 1/20 0.47

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
SCHEMBL28333429 0.92 CYP3A4 (0.57) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL28478127 0.89 CYP3A4 (0.57) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL6436202 0.87 CYP3A4 (0.61) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL388562 0.86 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5503979 0.85 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL7739709 0.85 CYP3A4 (0.58) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1537285 0.84 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL163444 0.84 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL93943 0.84 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL3393715 0.84 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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
WO-2013033046-A2 FLUORESCENT PL MARKERS FOR ISOELECTRIC FOCUSING SEPARATIONS AND FLUORESCENT LABELING VIGH GYULA (US) 2013-03-07 — — WO disclosed
EP-2305775-A2 Functionalized fluorescent nanocrystals, and methods for their preparation and use Molecular Probes, Inc. (US) 2011-04-06 — — EP disclosed
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