SCHEMBL8064464

SCHEMBL8064464

O=C(O)CCC(F)(Br)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
THRB P10828 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.39
LMNA P02545 6/20 0.38
EGLN1 Q9GZT9 2/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
TSHR P16473 4/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
ESR1 P03372 1/20 0.35
CYP3A4 P08684 1/20 0.35
ESR2 Q92731 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
ACLY P53396 2/20 0.33
NFKB1 P19838 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
SCHEMBL7023611 0.79
SCHEMBL9621077 0.77 FFAR1 (0.36) KMT2AMEN1ACLYTDP1
SCHEMBL27272864 0.77
SCHEMBL27268588 0.77
SCHEMBL3698957 0.75 LMNA (0.38) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL8316251 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL11061773 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL12987414 0.73 LMNA (0.47) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL9437327 0.73 LMNA (0.47) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL38157 0.73

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
EP-1062214-A1 SUBSTITUTED 2-(2,6-DIOXO-3-FLUOROPIPERIDIN-3-YL)-ISOINDOLINES AND THEIR USE TO REDUCE TNFA LEVELS CELGENE CORPORATION (US) 2000-12-27 EP disclosed
WO-1999046258-A1 SUBSTITUTED 2-(2,6-DIOXO-3-FLUOROPIPERIDIN-3-YL)-ISOINDOLINES AND THEIR USE TO REDUCE TNFα LEVELS CELGENE CORPORATION (US) 1999-09-16 WO disclosed