SCHEMBL7209504

SCHEMBL7209504

N#CC(NC(=O)OCc1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.45
▸ CTSS P25774 11/20 0.44
▸ CTSL P07711 10/20 0.44
▸ CTSB P07858 7/20 0.44
▸ CTSK P43235 5/20 0.44
▸ LGALS8 O00214 1/20 0.44
▸ ATM Q13315 1/20 0.41
▸ CTRB1 P17538 2/20 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
SCHEMBL7209902 0.80 CTSS (0.43) TACR1CTSSCTSLCTSBCTSK
SCHEMBL20158797 0.76 LGALS8 (0.47) LGALS8
SCHEMBL27450139 0.75 TACR1 (0.53) TACR1CTSSCTSLCTSBCTSK
SCHEMBL19090850 0.74 LGALS8 (0.48) LGALS8CTRB1
SCHEMBL9068068 0.73 LGALS8 (0.49) LGALS8
SCHEMBL12812847 0.72 HK1 (0.58) LGALS8
SCHEMBL374488 0.72 HK1 (0.58) LGALS8
SCHEMBL7147563 0.72 HK1 (0.58) LGALS8
SCHEMBL18803484 0.72 HK1 (0.58) LGALS8
SCHEMBL10521162 0.72 HK1 (0.58) LGALS8

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
US-6617106-B1 Methods for preparing oligonucleotides containing non-standard nucleotides BENNER, STEVEN 2003-09-09 — — US disclosed
US-6140496-A Precursors for deoxyribonucleotides containing non-standard nucleosides BENNER, STEVEN 2000-10-31 — — US disclosed
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