SCHEMBL8054472

SCHEMBL8054472

CCOC(=O)C(C)=Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLO1 Q04760 1/20 0.45
LMNA P02545 3/20 0.45
NFE2L2 Q16236 1/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
XPO1 O14980 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
THRB P10828 1/20 0.44
EPHX2 P34913 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL8054468 1.00 HPGD (0.47) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL18227995 0.89 MEN1 (0.60) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL7273072 0.87 GLO1 (0.61) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL15026404 0.87 GLO1 (0.61) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL8956854 0.86 BACE1 (0.48) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL10085360 0.86 ALDH1A1 (0.53) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL8956851 0.86 BACE1 (0.48) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL21399813 0.83 MEN1 (0.54) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL16969110 0.83 NPSR1 (0.55) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL14113061 0.81 KMT2A (0.53) ALDH1A1MAPTMEN1KMT2AGAA

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
US-6025349-A ANTIARRHYTHMIC PROPERTIES, HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed