SCHEMBL24935609

SCHEMBL24935609

CC(=O)COCCC(F)(F)COc1ccc(C(C)C)cc1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
AAK1 Q2M2I8 3/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
BCHE P06276 6/20 0.34
ACHE P22303 6/20 0.34
PDE2A O00408 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL25063906 0.90 FFAR1 (0.37) FFAR1AAK1MRGPRX4NPC1GAA
SCHEMBL24935607 0.85 MRGPRX4 (0.41) FFAR1AAK1MRGPRX4ALDH1A1
SCHEMBL24934758 0.83 FFAR1 (0.41) FFAR1MRGPRX4NPC1GAARAB9A
SCHEMBL25063899 0.81 FFAR1 (0.37) FFAR1AAK1MRGPRX4NPC1GAA
SCHEMBL27420654 0.76 PDE2A (0.38) FFAR1AAK1MRGPRX4BCHEACHE
SCHEMBL24935781 0.75 MRGPRX4 (0.41) FFAR1MRGPRX4L3MBTL1ALDH1A1
SCHEMBL27427148 0.75 PDE2A (0.40) FFAR1AAK1MRGPRX4PDE2AIDH1
SCHEMBL12015790 0.74 CYP2C9 (0.43) FFAR1AAK1MRGPRX4PDE2AL3MBTL1
SCHEMBL27439663 0.73 PDE2A (0.46) FFAR1AAK1MRGPRX4BCHEACHE
SCHEMBL24935379 0.72 FFAR1 (0.40) FFAR1MRGPRX4NPC1GAARAB9A

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-4119546-A1 BIFUNCTIONAL COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Suzhou Kintor Pharmaceuticals, Inc. (CN) 2023-01-18 EP disclosed