SCHEMBL8448707

SCHEMBL8448707

COC(=O)Cc1ccc([N+](C)(C)C)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
PDK2 Q15119 1/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
HSP90AB1 P08238 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
NOTUM Q6P988 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC7A5 Q01650 1/20 0.38
SYK P43405 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL8467103 0.81 ALDH1A1 (0.49) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL2642622 0.81 ALDH1A1 (0.49) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL2126752 0.81 ALDH1A1 (0.60) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL20214473 0.81 GAA (0.49) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL18524127 0.79 NOTUM (0.57) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL20576241 0.79 ALDH1A1 (0.48) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL1780814 0.79 IDO1 (0.53) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL2645838 0.78 ALDH1A1 (0.49) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL20214462 0.77 ALDH1A1 (0.46) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL8448706 0.77 GAA (0.46) ALDH1A1GAAGFERPDK2CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2455105-A2 Bombesin analogues Bayer Pharma Aktiengesellschaft (DE) 2012-05-23 EP disclosed
EP-1985624-A2 Single step method of radiofluorination of biologically active compounds or biomolecules Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP disclosed
WO-2008028688-A2 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed