SCHEMBL17607353

SCHEMBL17607353

CC(C)(C)OC(=O)N(C=CCc1cccnc1)CC=CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.40
RIPK1 Q13546 1/20 0.39
CYP3A4 P08684 1/20 0.37
NAPRT Q6XQN6 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
RAB9A P51151 1/20 0.35
NAMPT P43490 1/20 0.35
GPR52 Q9Y2T5 1/20 0.34

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
SCHEMBL17607355 0.79 TBXAS1 (0.43) TBXAS1RIPK1CYP3A4L3MBTL1NAMPT
SCHEMBL15758203 0.76 TBXAS1 (0.57) TBXAS1NAPRTRAB9AGPR52
SCHEMBL15758205 0.76 TBXAS1 (0.57) TBXAS1NAPRTRAB9AGPR52
SCHEMBL17607352 0.75 CYP3A4 (0.37) TBXAS1RIPK1CYP3A4NAPRTLMNA
SCHEMBL5890773 0.71 RIPK1 (0.63) RIPK1CYP3A4NAPRTLMNARAB9A
SCHEMBL10719514 0.70 TBXAS1 (0.54) TBXAS1NAPRTRAB9AGPR52
SCHEMBL17607361 0.68 NPC1 (0.49) TBXAS1CYP3A4NAPRTPOLBLMNA
SCHEMBL7332333 0.68 RIPK1 (0.51) RIPK1CYP3A4NAPRTKMT2ALMNA
SCHEMBL27875045 0.68 KMT2A (0.48) TBXAS1RIPK1CYP3A4NAPRTKMT2A
SCHEMBL10456551 0.68 TBXAS1 (0.70) TBXAS1NAPRTGPR52

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
WO-2016042280-A1 CONJUGATES OF AMINO ACID-PYRIDINE/PYRIDINIUM AND USES THEREOF AS BIOCIDAL AGENTS Université de Nice Sophia Antipolis (FR) 2016-03-24 WO disclosed