SCHEMBL7277625

SCHEMBL7277625

Cc1c(CC(C(=O)O)N(C)C)ccc(Oc2ccc(O)cc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PCNA P12004 1/20 0.38
BMP1 P13497 1/20 0.37
CAMK2A Q9UQM7 1/20 0.36
THRA P10827 3/20 0.36
THRB P10828 3/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
HTT P42858 1/20 0.35
PPARG P37231 1/20 0.34
FFAR1 O14842 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6672415 0.77 NR3C1 (0.39) HTTPPARG
SCHEMBL7941005 0.75 NCEH1 (0.34) HTTPPARGSMN1; SMN2
SCHEMBL3450569 0.75 NCEH1 (0.34) HTTPPARGSMN1; SMN2
SCHEMBL11593932 0.75 NCEH1 (0.34) HTTPPARGSMN1; SMN2
SCHEMBL3682167 0.75 PPARG (0.39) PCNATHRATHRBPPARGFFAR1
SCHEMBL3682170 0.75 PPARG (0.39) PCNATHRATHRBPPARGFFAR1
Hydrochloric Acid SCHEMBL11591299 0.74 ALDH1A1 (0.36) HTTPPARGSMN1; SMN2
SCHEMBL38894 0.73 ESR1 (0.46) HTT
SCHEMBL21899391 0.70 SLC7A5 (0.55) CAMK2ASLC6A2
SCHEMBL38225 0.70 SLC7A5 (0.55) CAMK2ASLC6A2

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-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed