SCHEMBL2844178

SCHEMBL2844178

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 3/20 0.37
PDK2 Q15119 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CA5A P35218 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 1/20 0.35
SLC7A5 Q01650 1/20 0.35
CXCR2 P25025 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CTSD P07339 3/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 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
SCHEMBL2851693 0.90 CA5A (0.43) ALDH1A1GAALMNACA5ASMN1; SMN2
SCHEMBL4842048 0.78 CA5A (0.58) ALDH1A1GAAGFERLMNAPDK2
SCHEMBL5738807 0.78 CA5A (0.51) ALDH1A1GAAGFERLMNAPDK2
SCHEMBL7420742 0.77 GAA (0.55) ALDH1A1GAAGFERLMNAPDK2
SCHEMBL2845992 0.77 ALDH1A1 (0.54) ALDH1A1GAAGFERLMNACYP4F2
SCHEMBL2126108 0.76 CYP4F2 (0.43) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL30154424 0.76 CYP4F2 (0.43) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL2127345 0.76 CYP4F2 (0.43) ALDH1A1GAAGFERLMNAPDK2
SCHEMBL2851682 0.75 CYP4F2 (0.40) ALDH1A1GAAGFERLMNAPDK2
SCHEMBL2124578 0.75 RXRA (0.43) ALDH1A1GAAGFERLMNAPDK2

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