SCHEMBL29344700

SCHEMBL29344700

Ic1ccccc1OC(I)(I)I

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.33
FABP3 P05413 1/20 0.33
FABP5 Q01469 1/20 0.33
IDO1 P14902 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL29344589 0.81 FABP7 (0.31) FABP7FABP3FABP5IDO1
SCHEMBL30740989 0.78 SCN9A (0.38)
SCHEMBL934639 0.78 SCN9A (0.38)
SCHEMBL2760211 0.78 KCNH2 (0.37) FABP7FABP3FABP5IDO1CA12
SCHEMBL22476072 0.73 TAAR1 (0.39) FABP7FABP3FABP5IDO1CA12
SCHEMBL3845701 0.73 CA12 (0.38) FABP7FABP3FABP5IDO1CA12
SCHEMBL29350069 0.71
SCHEMBL28219 0.71
SCHEMBL18508315 0.70
SCHEMBL3843330 0.70 HTT (0.39) FABP7FABP3FABP5IDO1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632910-B1 3,4-DIHYDROQUINOLINONES AS FXR RECEPTOR AGONISTS CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2024-07-17 EP disclosed