SCHEMBL11570939

SCHEMBL11570939

CCCCCCCC(Cc1cccc(I)c1)OC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.41
CSNK1E P49674 1/20 0.39
CTSB P07858 2/20 0.39
CTSL P07711 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
ALDH1A1 P00352 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
FOLH1 Q04609 1/20 0.39
CNR2 P34972 1/20 0.39
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL11570937 0.91 CTSK (0.40) CTSKCSNK1ECTSBCTSLPPARG
SCHEMBL11570563 0.85 PRKCA (0.38) CTSKCTSBCTSLPPARGALDH1A1
SCHEMBL1837115 0.85 CTSK (0.53) CTSKCSNK1ECTSBCTSLALDH1A1
SCHEMBL1839268 0.85 CTSK (0.53) CTSKCSNK1ECTSBCTSLALDH1A1
SCHEMBL1841343 0.85 CTSK (0.53) CTSKCSNK1ECTSBCTSLALDH1A1
SCHEMBL11571147 0.84 CTSK (0.42) CTSKCSNK1ECTSBCTSLPPARA
SCHEMBL11570912 0.84 CTSK (0.42) CTSKCSNK1ECTSBCTSLPPARA
SCHEMBL1837041 0.84 CTSK (0.54) CTSKCSNK1ECTSBCTSLALDH1A1
SCHEMBL16067620 0.84 CTSK (0.42) CTSKCTSBCTSLPPARGFOLH1
SCHEMBL11571422 0.83 CTSK (0.43) CTSKCSNK1ECTSBCTSLALDH1A1

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-4022814-A Iodine containing organic carbonates for use as radiographic agents LAFAYETTE PHARMACAL, INC. (US) 1977-05-10 US claimed
US-4175544-A X-RAYS OF BODY FOR MEDICAL DIAGNOSIS Lafayette Pharmacal Inc. (US) 1979-11-27 US disclosed
US-4022814-A Iodine containing organic carbonates for use as radiographic agents LAFAYETTE PHARMACAL, INC. (US) 1977-05-10 US disclosed