SCHEMBL6073098

SCHEMBL6073098

CC(=O)Nc1ccccc1OOP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
HSD17B10 Q99714 1/20 0.50
POLB P06746 3/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 3/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8616070 0.83 BRD4 (0.54) BRD4HSD17B10POLBALDH1A1HPGD
SCHEMBL8616068 0.78 BRD4 (0.55) BRD4HSD17B10POLBALDH1A1HPGD
SCHEMBL10822262 0.77 BRD4 (0.62) BRD4HSD17B10POLBALDH1A1HPGD
SCHEMBL30892502 0.77 BRD4 (0.62) BRD4HSD17B10POLBALDH1A1HPGD
SCHEMBL171580 0.75 KMT2A (0.70) BRD4POLBALDH1A1KDM4EL3MBTL1
SCHEMBL30356246 0.75 KMT2A (0.70) BRD4POLBALDH1A1KDM4EL3MBTL1
SCHEMBL9287644 0.75 HSD17B10 (0.68) BRD4HSD17B10POLBALDH1A1HPGD
SCHEMBL11786081 0.74 KMT2A (0.55) BRD4HSD17B10POLBALDH1A1HPGD
SCHEMBL8886874 0.74 HSD17B10 (0.66) BRD4HSD17B10POLBALDH1A1HPGD
SCHEMBL2538370 0.74 BRD4 (0.58) BRD4HSD17B10POLBALDH1A1HPGD

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-2006102069-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2006-09-28 WO disclosed