SCHEMBL16799425

SCHEMBL16799425

CC=CC(=O)NCCCNC(=O)CCCCCCCCC1CCSS1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ BCHE P06276 13/20 0.49
▸ ACHE P22303 12/20 0.49
▸ CAPN1 P07384 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TARDBP Q13148 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49

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
SCHEMBL16799430 1.00 CA12 (0.58) CA12CA9BCHEACHECAPN1
SCHEMBL16799383 1.00 CA12 (0.58) CA12CA9BCHEACHECAPN1
SCHEMBL16799111 1.00 CA12 (0.58) CA12CA9BCHEACHECAPN1
SCHEMBL16798906 1.00 CA12 (0.58) CA12CA9BCHEACHECAPN1
SCHEMBL16799047 0.99 CA12 (0.60) CA12CA9BCHEACHECAPN1
SCHEMBL13834757 0.86 CA12 (0.74) CA12CA9BCHEACHECAPN1
SCHEMBL16799051 0.86 CA12 (0.61) CA12CA9BCHEACHECAPN1
SCHEMBL16799104 0.86 CA12 (0.61) CA12CA9BCHEACHECAPN1
SCHEMBL16799582 0.86 CA12 (0.61) CA12CA9BCHEACHECAPN1
SCHEMBL16799564 0.86 CA12 (0.61) CA12CA9BCHEACHECAPN1

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
EP-3077476-A1 NANOPARTICLES COMPLEXED WITH FUNCTIONALIZABLE ENHANCED AFFINITY LIGANDS AND USE THEREOF Nexdot (FR) 2016-10-12 — — EP disclosed
WO-2015082656-A1 NANOPARTICLES COMPLEXED WITH FUNCTIONALIZABLE ENHANCED AFFINITY LIGANDS AND USE THEREOF NEXDOT (FR) 2015-06-11 — — WO disclosed
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