SCHEMBL11570937

SCHEMBL11570937

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
GLS2 Q9UI32 3/20 0.37
DAGLA Q9Y4D2 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CSNK1E P49674 1/20 0.37
FOLH1 Q04609 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL11570939 0.91 CTSK (0.41) CTSKPRKCAPRKCDHDAC1HDAC2
SCHEMBL11570561 0.85 PRKCA (0.39) CTSKPRKCAPRKCDGLS2DAGLA
SCHEMBL16067620 0.85 CTSK (0.42) CTSKPRKCAPRKCDHDAC1HDAC2
SCHEMBL11571250 0.84 CTSK (0.40) CTSKGLS2DAGLACTSLCTSB
SCHEMBL11571149 0.84 CTSK (0.40) CTSKGLS2DAGLACTSLCTSB
SCHEMBL11571420 0.82 CTSK (0.41) CTSKPRKCAPRKCDGLS2DAGLA
SCHEMBL11570563 0.76 PRKCA (0.38) CTSKPRKCAPRKCDGLS2DAGLA
SCHEMBL1841343 0.75 CTSK (0.53) CTSKDAGLACTSLCTSBCSNK1E
SCHEMBL1837115 0.75 CTSK (0.53) CTSKDAGLACTSLCTSBCSNK1E
SCHEMBL1839268 0.75 CTSK (0.53) CTSKDAGLACTSLCTSBCSNK1E

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