SCHEMBL21049237

SCHEMBL21049237

CSCCC(NC(=O)C(CC(C)C)NC(C)=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
FOLH1 Q04609 3/20 0.57
CTSD P07339 4/20 0.54
BACE1 P56817 4/20 0.54
GNPAT O15228 1/20 0.45
LMNA P02545 1/20 0.45
CTSB P07858 1/20 0.44
FPR1 P21462 1/20 0.43
FPR2 P25090 1/20 0.43

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
SCHEMBL17536609 1.00 ALDH1A1 (0.60) ALDH1A1FOLH1CTSDBACE1GNPAT
SCHEMBL21049238 1.00 ALDH1A1 (0.60) ALDH1A1FOLH1CTSDBACE1GNPAT
SCHEMBL17536608 1.00 ALDH1A1 (0.60) ALDH1A1FOLH1CTSDBACE1GNPAT
SCHEMBL17951689 0.99 ALDH1A1 (0.58) ALDH1A1FOLH1CTSDBACE1GNPAT
SCHEMBL16557150 0.94 ALDH1A1 (0.65) ALDH1A1FOLH1CTSDBACE1LMNA
SCHEMBL16557153 0.92 ALDH1A1 (0.54) ALDH1A1FOLH1CTSDBACE1CTSB
SCHEMBL20255738 0.90 CTSD (0.50) ALDH1A1FOLH1CTSDBACE1CTSB
SCHEMBL21012039 0.90 CTSD (0.50) ALDH1A1FOLH1CTSDBACE1CTSB
SCHEMBL7109161 0.89 GNPAT (0.50) ALDH1A1FOLH1CTSDBACE1GNPAT
SCHEMBL7109159 0.89 GNPAT (0.50) ALDH1A1FOLH1CTSDBACE1GNPAT

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
US-11440822-B2 Methods and uses of dissolved organic material fractions for binding metal ions Noblegen, Inc. (CA) 2022-09-13 US disclosed
EP-3494093-B1 METHODS AND USES OF DISSOLVED ORGANIC MATERIAL FRACTIONS FOR BINDING METAL IONS NOBLEGEN INC (CA) 2022-05-18 EP disclosed
US-20200407252-A1 METHODS AND USES OF DISSOLVED ORGANIC MATERIAL FRACTIONS FOR BINDING METAL IONS TRENT UNIVERSITY (CA) 2020-12-31 US disclosed
US-10773978-B2 Methods and uses of dissolved organic material fractions for binding metal ions Noblegen, Inc. (CA) 2020-09-15 US disclosed
US-20190210898-A1 METHODS AND USES OF DISSOLVED ORGANIC MATERIAL FRACTIONS FOR BINDING METAL IONS TRENT UNIVERSITY (CA) 2019-07-11 US disclosed
EP-3494093-A1 METHODS AND USES OF DISSOLVED ORGANIC MATERIAL FRACTIONS FOR BINDING METAL IONS Noblegen Inc. (CA) 2019-06-12 EP disclosed