SCHEMBL7770202

SCHEMBL7770202

CCOP(=O)(Cc1ccc(-c2nc3cc(Br)ccc3c(=O)n2C)cc1)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 3/20 0.37
HRH3 Q9Y5N1 3/20 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
SCHEMBL7768661 0.88 CYP3A4 (0.46) KMT2ACYP3A4
SCHEMBL7770194 0.88 CYP3A4 (0.46) HDAC1ALDH1A1GAAKCNH2HRH3
SCHEMBL7770185 0.87 HDAC3 (0.37) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL7770189 0.85 HDAC3 (0.42) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL7770738 0.85 NPY5R (0.51) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7768664 0.80 CYP3A4 (0.45) MAPTKMT2ACYP3A4
SCHEMBL7768675 0.79 NPY5R (0.39) MAPTALDH1A1CYP1A2GAACYP2D6
SCHEMBL7773023 0.79 NPY5R (0.42) ALDH1A1NPY5R
SCHEMBL7770742 0.78 CYP3A4 (0.46) KMT2ACYP3A4
SCHEMBL7765138 0.77 CYP3A4 (0.44) KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749974-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-06-27 EP claimed
CN-1066739-C Phosphonic diester deriv OTSUKA PHARMA CO LTD (JP) 2001-06-06 CN claimed
US-5798344-A TREATING DIABETES, HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-08-25 US claimed
CN-1147257-A Phosphonic diester deriv OTSUKA PHARMA CO LTD (JP) 1997-04-09 CN claimed
EP-0749974-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-12-27 EP claimed
EP-0749974-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-06-27 EP disclosed
CN-1066739-C Phosphonic diester deriv OTSUKA PHARMA CO LTD (JP) 2001-06-06 CN disclosed
US-5798344-A TREATING DIABETES, HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-08-25 US disclosed
CN-1147257-A Phosphonic diester deriv OTSUKA PHARMA CO LTD (JP) 1997-04-09 CN disclosed
EP-0749974-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-12-27 EP disclosed