SCHEMBL2851682

SCHEMBL2851682

COC(=O)Cc1ccc(C=O)c(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 3/20 0.40
GFER P55789 1/20 0.40
CA5A P35218 1/20 0.40
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NFKB1 P19838 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
SLC7A5 Q01650 1/20 0.36

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
SCHEMBL4842048 0.84 CA5A (0.58) CYP4F2CYP4A11PDK2ALDH1A1GAA
SCHEMBL5738807 0.84 CA5A (0.51) CYP4F2CYP4A11PDK2ALDH1A1GAA
SCHEMBL13111290 0.82 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2126108 0.81 CYP4F2 (0.43) CYP4F2CYP4A11PDK2ALDH1A1GAA
SCHEMBL30154424 0.81 CYP4F2 (0.43) CYP4F2CYP4A11PDK2ALDH1A1GAA
SCHEMBL2127345 0.81 CYP4F2 (0.43) CYP4F2CYP4A11PDK2ALDH1A1GAA
SCHEMBL31260444 0.80 ALDH1A1 (0.51) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL2124578 0.80 RXRA (0.43) CYP4F2CYP4A11PDK2ALDH1A1GAA
SCHEMBL2125942 0.80 LMNA (0.43) CYP4F2CYP4A11PDK2ALDH1A1GAA
SCHEMBL7420742 0.80 GAA (0.55) CYP4F2CYP4A11PDK2ALDH1A1GAA

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
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed