SCHEMBL2475545

SCHEMBL2475545

CCOP(=O)(OCC)C1OC(=O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
ADRA2A P08913 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL1689403 0.85 POLB (0.42) ALDH1A1POLBKDM4EHSD17B10
SCHEMBL29655180 0.82 ALDH1A1 (0.47) ALDH1A1POLBKDM4EHSD17B10GAA
SCHEMBL1689399 0.82 ALDH1A1 (0.47) ALDH1A1POLBKDM4EHSD17B10GAA
SCHEMBL10091946 0.76 ALDH1A1 (0.47) ALDH1A1POLBKDM4EHSD17B10GAA
SCHEMBL98965 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10
SCHEMBL14003000 0.74 ALDH1A1 (0.42) ALDH1A1POLBKDM4EHSD17B10GAA
SCHEMBL2272050 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10GAA
SCHEMBL13302911 0.70 POLB (0.45) ALDH1A1POLBKDM4EHSD17B10
SCHEMBL30408659 0.70 POLB (0.45) ALDH1A1POLBKDM4EHSD17B10
SCHEMBL28023416 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2824098-B1 Method for the preparation of 4-[3-(4-cyclopropanecarbonyl- piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one KUDOS PHARM LTD (GB) 2016-06-22 EP claimed
EP-2374800-A2 Methods for the preparation of 4-[3-(4-cyclopropanecarbonyl- piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one Kudos Pharmaceuticals Limited (GB) 2011-10-12 EP claimed
EP-2374800-A2 Methods for the preparation of 4-[3-(4-cyclopropanecarbonyl- piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one Kudos Pharmaceuticals Limited (GB) 2011-10-12 EP disclosed