SCHEMBL6663597

SCHEMBL6663597

CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2c(F)c(F)c(F)c(F)c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MAPT P10636 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 2/20 0.61
USP2 O75604 1/20 0.61
GSTP1 P09211 1/20 0.58
HPGD P15428 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
BRCA1 P38398 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 2/20 0.41
FTO Q9C0B1 2/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA2 P00918 2/20 0.36
CA5A P35218 2/20 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
SCHEMBL12560103 0.82 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5445148 0.80 MEN1 (0.68) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1608876 0.79 HPGD (0.63) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL23457054 0.79 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1029702 0.79 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL25316086 0.78 HPGD (0.62) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL18009919 0.78 MAPT (0.66) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1608886 0.78 HPGD (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3248111 0.78 GSTP1 (0.67) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL284851 0.77 MAPT (0.65) ALDH1A1MAPTMEN1KMT2ALMNA

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-2004015416-A2 METHODS FOR THE IDENTIFICATION OF AGENTS WITH ANTI-MICROBIAL ACTION BAYER HEALTHCARE AG (DE) 2004-02-19 WO disclosed