SCHEMBL11570653

SCHEMBL11570653

CCCCCCC(CC(C)c1ccc(I)cc1)OC(=O)OC(CCCCCC)CC(C)c1ccc(I)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
FOLH1 Q04609 4/20 0.37
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSK P43235 3/20 0.36
CTSL P07711 2/20 0.34
PDCD4 Q53EL6 2/20 0.34
GLS2 Q9UI32 2/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL11570656 0.91 ALDH1A1 (0.40) ALDH1A1FOLH1KDM4EKMT2AL3MBTL1
SCHEMBL11571149 0.80 CTSK (0.40) ALDH1A1FOLH1CTSKCTSLGLS2
SCHEMBL11571250 0.80 CTSK (0.40) ALDH1A1FOLH1CTSKCTSLGLS2
SCHEMBL11569696 0.78 S1PR1 (0.44)
SCHEMBL11571420 0.78 CTSK (0.41) FOLH1CTSKCTSLGLS2
SCHEMBL9015763 0.76 SLC2A1 (0.39) FOLH1CTSKEPHX1
SCHEMBL11569703 0.73 NR1I2 (0.42) ALDH1A1FOLH1L3MBTL1CTSK
SCHEMBL11570658 0.73 NR1I2 (0.42) ALDH1A1FOLH1L3MBTL1CTSK
SCHEMBL7644829 0.73 GPR84 (0.48) ALDH1A1
SCHEMBL7940292 0.73 GPR84 (0.48) ALDH1A1

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