SCHEMBL8959005

SCHEMBL8959005

CCOP(=O)(OCC)C(O)c1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
GAA P10253 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.45
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PGK1 P00558 2/20 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
SCHEMBL12937868 0.82 POLB (0.67) POLBGAACA12CA1CA2
SCHEMBL6756690 0.80 POLB (1.00) POLBGAAL3MBTL1HPGDALOX15
SCHEMBL31232896 0.80 POLB (1.00) POLBGAAL3MBTL1HPGDALOX15
SCHEMBL8796147 0.80 CA12 (0.48) POLBGAACA12CA1CA2
SCHEMBL11046075 0.78 POLB (0.70) POLBGAAL3MBTL1HPGDALOX15
SCHEMBL7166722 0.78 POLB (0.82) POLBGAAL3MBTL1HPGDALOX15
SCHEMBL23091737 0.78 POLB (0.56) POLBGAAL3MBTL1HPGDALOX15
SCHEMBL29712500 0.78 POLB (0.56) POLBGAAL3MBTL1HPGDALOX15
SCHEMBL7165895 0.77 POLB (0.60) POLBGAAL3MBTL1HPGDNPSR1
SCHEMBL8824585 0.75 PGK1 (0.74) CA12CA9PGK1PGK2CES2

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
US-5500417-A ANTIARTHRITIC THE UPJOHN COMPANY (US) 1996-03-19 US claimed
EP-0661978-A1 ARYLMETHYLPHOSPHONATES AND PHOSPHONIC ACIDS USEFUL AS ANTI-INFLAMMATORY AGENTS PHARMACIA & UPJOHN COMPANY (US) 1995-07-12 EP claimed
WO-1994007501-A1 ARYLMETHYLPHOSPHONATES AND PHOSPHONIC ACIDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1994-04-14 WO claimed