SCHEMBL6049392

SCHEMBL6049392

CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NC[C@@H](O)CC(=O)O)c3ccccc3)cc2S(=O)(=O)N1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.73
CTSD P07339 4/20 0.33
SLC10A2 Q12908 7/20 0.33

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
SCHEMBL4731985 0.96 NR1H4 (0.79) NR1H4CTSDSLC10A2
SCHEMBL25250178 0.96 NR1H4 (0.79) NR1H4CTSDSLC10A2
SCHEMBL4732517 0.94 NR1H4 (0.74) NR1H4CTSDSLC10A2
SCHEMBL16415717 0.92 NR1H4 (0.76) NR1H4CTSDSLC10A2
SCHEMBL2687279 0.92 NR1H4 (0.76) NR1H4CTSDSLC10A2
SCHEMBL25249701 0.91 NR1H4 (0.77) NR1H4CTSDSLC10A2
SCHEMBL4615546 0.91 NR1H4 (0.80) NR1H4CTSDSLC10A2
SCHEMBL5691778 0.91 NR1H4 (0.74) NR1H4CTSDSLC10A2
SCHEMBL5142403 0.91 NR1H4 (0.76) NR1H4CTSDSLC10A2
SCHEMBL5407206 0.90 NR1H4 (0.80) NR1H4SLC10A2

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
EP-1458673-B1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR) ASTRAZENECA AB (SE) 2006-09-06 EP claimed