SCHEMBL5402857

SCHEMBL5402857

CC(C)(C)OC(=O)N1Cc2ccc(F)cc2CC1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.48
PTPN1 P18031 4/20 0.47
AGTR2 P50052 1/20 0.42
MMP8 P22894 2/20 0.42
MMP3 P08254 1/20 0.42
ACE P12821 1/20 0.42

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
SCHEMBL14279605 0.95 HDAC8 (0.53) HDAC8PTPN1
SCHEMBL4860126 0.95 HDAC8 (0.53) HDAC8PTPN1
SCHEMBL19460386 0.86 PTPN1 (0.48) HDAC8PTPN1AGTR2
SCHEMBL17573069 0.86 PTPN1 (0.48) HDAC8PTPN1AGTR2
SCHEMBL546157 0.86 ESR2 (0.56) HDAC8PTPN1AGTR2ACE
SCHEMBL18793348 0.83 PTPN1 (0.68) HDAC8PTPN1
SCHEMBL20720251 0.83 PTPN1 (0.68) HDAC8PTPN1
SCHEMBL29676960 0.83 PTPN1 (0.68) HDAC8PTPN1
SCHEMBL66871 0.83 ACE (0.59) HDAC8PTPN1ACE
SCHEMBL14067913 0.83 ACE (0.59) HDAC8PTPN1ACE

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
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-20040116699-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-06-17 US disclosed