SCHEMBL27514855

SCHEMBL27514855

O=C(O)C(CCCc1ccccc1)C(=O)Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 1/20 0.53
▸ PPARG P37231 2/20 0.51
▸ PPARA Q07869 2/20 0.51
▸ HDAC3 O15379 3/20 0.50
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC2 Q92769 3/20 0.50
▸ HDAC8 Q9BY41 3/20 0.50
▸ HDAC6 Q9UBN7 3/20 0.50
▸ HDAC5 Q9UQL6 3/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC7 Q8WUI4 2/20 0.50
▸ HDAC10 Q969S8 2/20 0.50
▸ HDAC11 Q96DB2 2/20 0.50
▸ HDAC9 Q9UKV0 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPT P10636 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL3544881 0.88 GRIK1 (0.59) GRIK1PPARGPPARAHDAC3HDAC1
SCHEMBL28315627 0.86 GRIK1 (0.57) GRIK1PPARGPPARAHDAC3HDAC1
SCHEMBL28315604 0.86 GRIK1 (0.57) GRIK1PPARGPPARAHDAC3HDAC1
SCHEMBL28314735 0.86 GRIK1 (0.57) GRIK1PPARGPPARAHDAC3HDAC1
SCHEMBL28315720 0.86 GRIK1 (0.57) GRIK1PPARGPPARAHDAC3HDAC1
SCHEMBL28314730 0.86 GRIK1 (0.57) GRIK1PPARGPPARAHDAC3HDAC1
SCHEMBL28315784 0.86 GRIK1 (0.57) GRIK1PPARGPPARAHDAC3HDAC1
SCHEMBL5783078 0.85 GRIK1 (0.56) GRIK1PPARGPPARAHDAC3HDAC1
SCHEMBL8170321 0.82 MAPT (0.57) GRIK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL28213570 0.82 MMP8 (0.51) PPARGPPARAHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1269791-C Novel acid halide derivatives, their production, and production of indanonecarboxylic acid esters using the same DAICEL CHEM (JP) 2006-08-16 — — CN disclosed
CN-1583712-A Novel acid halide derivatives, their production, and production of indanonecarboxylic acid esters using the same DAICEL CHEM (JP) 2005-02-23 — — CN disclosed
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