SCHEMBL27383079

SCHEMBL27383079

O=C(I)CCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.55
▸ SLC5A1 P13866 1/20 0.51
▸ SLC5A2 P31639 1/20 0.51
▸ PLAAT3 P53816 1/20 0.47
▸ PLAAT5 Q96KN8 1/20 0.47
▸ PLAAT2 Q9NWW9 1/20 0.47
▸ PLAAT4 Q9UL19 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ AOC2 O75106 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ AOC3 Q16853 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL7332325 0.82 FFAR1 (0.58) FFAR1SLC5A1SLC5A2PLAAT3PLAAT5
SCHEMBL12659858 0.80 ESR1 (0.56) SLC5A1SLC5A2HPGDTAAR1LMNA
SCHEMBL27383213 0.80 FFAR1 (0.43) FFAR1
SCHEMBL9327509 0.80 FFAR1 (0.56) FFAR1SLC5A1SLC5A2PLAAT3PLAAT5
SCHEMBL193318 0.80 FFAR1 (0.79) FFAR1SLC5A1SLC5A2PLAAT3PLAAT5
SCHEMBL27482057 0.80 FFAR1 (0.56) FFAR1SLC5A1SLC5A2PLAAT3PLAAT5
SCHEMBL2486792 0.78 FFAR1 (0.55) FFAR1SLC5A1SLC5A2PLAAT3PLAAT5
Hydrochloric Acid SCHEMBL29184696 0.78 FFAR1 (0.76) FFAR1SLC5A1SLC5A2PLAAT3PLAAT5
SCHEMBL11260867 0.78 FFAR1 (0.55) FFAR1SLC5A1SLC5A2PLAAT3PLAAT5
Hydrochloric Acid SCHEMBL28568409 0.78 FFAR1 (0.76) FFAR1SLC5A1SLC5A2PLAAT3PLAAT5

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
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 — — WO disclosed
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