SCHEMBL14336221

SCHEMBL14336221

COC(=O)Cc1cc(N)ccc1-c1ccc(N)cc1CC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
GAA P10253 4/20 0.46
GFER P55789 1/20 0.46
HSP90AB1 P08238 1/20 0.42
MAPT P10636 3/20 0.40
TNF P01375 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
KDM4E B2RXH2 4/20 0.39
EGFR P00533 2/20 0.39
GLA P06280 2/20 0.39
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC7A5 Q01650 1/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL13990328 0.89 ALDH1A1 (0.39) ALDH1A1GAAGFERHSP90AB1MAPT
SCHEMBL8144382 0.87 ALDH1A1 (0.47) ALDH1A1GAAGFERHSP90AB1MAPT
SCHEMBL502012 0.84 ALDH1A1 (0.45) ALDH1A1GAAGFERHSP90AB1MAPT
SCHEMBL13025363 0.84 ALDH1A1 (0.45) ALDH1A1GAAGFERHSP90AB1MAPT
SCHEMBL12877592 0.84 ALDH1A1 (0.57) ALDH1A1GAAGFERHSP90AB1MAPT
SCHEMBL10272847 0.84 CYP17A1 (0.41) ALDH1A1GAAKDM4EGLA
SCHEMBL23713473 0.83 GAA (0.44) ALDH1A1GAAGFERHSP90AB1MAPT
SCHEMBL9159002 0.83 HSD17B10 (0.49) ALDH1A1GAAGFERMAPTTNF
SCHEMBL2129842 0.82 ALDH1A1 (0.50) ALDH1A1GAAGFERHSP90AB1MAPT
SCHEMBL4090632 0.81 GAA (0.58) ALDH1A1GAAGFERHSP90AB1MAPT

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-2007146209-A2 PHOTOPOLYMERIZABLE COMPOSITIONS DENTSPLY INTERNATIONAL INC. (US) 2007-12-21 WO disclosed