SCHEMBL7992991

SCHEMBL7992991

C=CCCCCN(C)C(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.57
CTSS P25774 1/20 0.54
PPARG P37231 1/20 0.52
RAB9A P51151 1/20 0.47
KLK7 P49862 2/20 0.47
KLK5 Q9Y337 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1B Q00975 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
SCHEMBL7992987 1.00 PPARA (0.57) PPARACTSSPPARGRAB9AKLK7
SCHEMBL1341914 0.83 PPARA (0.57) PPARACTSSPPARGRAB9AKLK7
SCHEMBL1343633 0.83 PPARA (0.57) PPARACTSSPPARGRAB9AKLK7
SCHEMBL7989516 0.83 MMP3 (0.42)
SCHEMBL9439194 0.79 PPARA (0.62) PPARACTSSPPARGRAB9AKLK7
SCHEMBL30836085 0.79 PPARA (0.67) PPARACTSSPPARGRAB9AKLK7
SCHEMBL7987678 0.79 SLC1A1 (0.43) L3MBTL1
SCHEMBL7987674 0.79 SLC1A1 (0.43) L3MBTL1
SCHEMBL2897805 0.79 PPARA (0.67) PPARACTSSPPARGRAB9AKLK7
SCHEMBL2897802 0.79 PPARA (0.67) PPARACTSSPPARGRAB9AKLK7

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-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed