SCHEMBL11570656

SCHEMBL11570656

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
FOLH1 Q04609 4/20 0.39
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSK P43235 2/20 0.35
ASAH1 Q13510 1/20 0.34
ACER2 Q5QJU3 1/20 0.34
POLB P06746 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
CNR2 P34972 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
PDCD4 Q53EL6 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
SCHEMBL11570653 0.91 ALDH1A1 (0.38) ALDH1A1FOLH1KDM4EKMT2AL3MBTL1
SCHEMBL11571147 0.80 CTSK (0.42) ALDH1A1FOLH1CTSK
SCHEMBL11570912 0.80 CTSK (0.42) ALDH1A1FOLH1CTSK
SCHEMBL11571263 0.80 FOLH1 (0.43) ALDH1A1FOLH1CTSKGPR84
SCHEMBL11570170 0.80 FOLH1 (0.43) ALDH1A1FOLH1CTSKGPR84
SCHEMBL11572453 0.80 FOLH1 (0.43) ALDH1A1FOLH1CTSKGPR84
SCHEMBL11569699 0.79 S1PR2 (0.46) ALDH1A1
SCHEMBL11571422 0.79 CTSK (0.43) ALDH1A1FOLH1CTSK
SCHEMBL11571505 0.78 FOLH1 (0.41) ALDH1A1FOLH1CTSKCNR2GPR84
SCHEMBL9015763 0.75 SLC2A1 (0.39) FOLH1CTSKGPR84

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