SCHEMBL8772914

SCHEMBL8772914

Nc1ccc(P(=O)(O)O)cc1P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
FBP1 P09467 7/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM2 Q14416 1/20 0.36
PGK1 P00558 3/20 0.35
PGK2 P07205 3/20 0.35
GRIK1 P39086 1/20 0.34

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
SCHEMBL31236948 1.00 CA2 (0.39) CA2CA4CA5AFBP1ALDH1A1
SCHEMBL10781577 0.82 CA2 (0.42) CA2CA4CA5AFBP1ALDH1A1
SCHEMBL1708793 0.80 TDP1 (0.42) ALDH1A1TDP1KDM4ECYP1A2ALOX15
SCHEMBL20379766 0.79 CA2 (0.44) CA2CA4CA5AALDH1A1TDP1
SCHEMBL28465322 0.77 TSHR (0.48) ALDH1A1TDP1KDM4EALOX15
SCHEMBL29633722 0.77 ALOX15 (0.48) ALDH1A1TDP1CYP1A2ALOX15
SCHEMBL17607326 0.77 ALOX15 (0.48) ALDH1A1TDP1CYP1A2ALOX15
SCHEMBL12002753 0.77 TDP1 (0.47) CA2CA4CA5AFBP1ALDH1A1
SCHEMBL14601681 0.77 KDM4E (0.47) ALDH1A1KDM4EALOX15
SCHEMBL26602790 0.77 CA2 (0.44) CA2CA4CA5AFBP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628860-B1 New type of modified gelatin and its use in a DTR material AGFA GEVAERT NV (BE) 1997-10-15 EP disclosed
US-5536817-A DIFFUSION TRANSFER REVERSAL AGFA-GEVAERT, N.V. (BE) 1996-07-16 US disclosed
US-5474885-A Hydrophilic photographic diffusion transfer reversal material containing gelatin modified by sulfate, sulfonate, phosphate, or phosphonate groups, for lithographic printing plates AGFA-GEVAERT, N.V. (BE) 1995-12-12 US disclosed
EP-0628860-A1 New type of modified gelatin and its use in a DTR material AGFA-GEVAERT N.V. (BE) 1994-12-14 EP disclosed