SCHEMBL7659952

SCHEMBL7659952

CC1=C(CCC(=O)N(C)C)C(=O)C(C(C)(C)CC(=O)O)=C(C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.32

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
SCHEMBL7032327 0.87 ALOX15 (0.33) PTPN1
SCHEMBL7019197 0.78 ALOX15 (0.32)
SCHEMBL7023407 0.76 ALOX15 (0.33) PTPN1
SCHEMBL13937723 0.75 HMGCR (0.41)
SCHEMBL20078976 0.75 GAA (0.30)
SCHEMBL7652051 0.73 GMNN (0.32)
SCHEMBL7025249 0.70 CYP2C19 (0.35)
SCHEMBL7655800 0.68 PTPN1 (0.33) PTPN1
SCHEMBL1786494 0.68 ALDH1A1 (0.44) PTPN1
SCHEMBL7033924 0.68 HMGCR (0.31)

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
US-6346633-B1 TERT-AMINOPHENYLESTER OF ACID ASTRAZENECA AB (SE) 2002-02-12 US disclosed