SCHEMBL3297372

SCHEMBL3297372

CCOc1c(C)cc(CC(N)C(=O)O)cc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 10/20 0.59
▸ THRA P10827 7/20 0.59
▸ ADORA3 P0DMS8 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ SLC7A5 Q01650 2/20 0.50
▸ USP2 O75604 2/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ PTGS2 P35354 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ EGFR P00533 1/20 0.50
▸ LCK P06239 1/20 0.50
▸ FYN P06241 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ LMNA P02545 4/20 0.47

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
SCHEMBL3297376 1.00 THRB (0.59) THRBTHRAADORA3HSD17B10SLC7A5
SCHEMBL3290593 0.86 THRB (0.58) THRBTHRAADORA3HSD17B10SLC7A5
SCHEMBL3291891 0.86 THRB (0.58) THRBTHRAADORA3HSD17B10SLC7A5
SCHEMBL18401480 0.80 ADORA3 (0.53) THRBTHRAADORA3HSD17B10SLC7A5
SCHEMBL25180570 0.79 SLC7A5 (0.58) THRBTHRAADORA3HSD17B10SLC7A5
SCHEMBL7280620 0.79 THRB (0.56) THRBTHRAADORA3HSD17B10SLC7A5
SCHEMBL29510634 0.79 SLC7A5 (0.58) THRBTHRAADORA3HSD17B10SLC7A5
SCHEMBL13957567 0.79 SLC7A5 (0.58) THRBTHRAADORA3HSD17B10SLC7A5
SCHEMBL19113817 0.78 PCNA (0.74) THRBTHRAADORA3HSD17B10SLC7A5
SCHEMBL39086 0.77 SIRT5 (0.58) THRBTHRAADORA3HSD17B10SLC7A5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723068-B2 Gene cluster involved in safracin biosynthesis and its uses for genetic engineering PHARMAMAR, S.A. (ES) 2010-05-25 — — US disclosed
EP-1576159-B9 THE GENE CLUSTER INVOLVED IN SAFRACIN BIOSYNTHESIS AND ITS USES FOR GENETIC ENGINEERING PHARMA MAR SA (ES) 2009-12-16 — — EP disclosed
EP-1576159-B1 THE GENE CLUSTER INVOLVED IN SAFRACIN BIOSYNTHESIS AND ITS USES FOR GENETIC ENGINEERING PHARMA MAR SA (ES) 2009-07-01 — — EP disclosed
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