SCHEMBL11296817

SCHEMBL11296817

O=C(O)CCNC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.42
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GGH Q92820 1/20 0.38
GRM3 Q14832 2/20 0.38
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ECE1 P42892 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
BBOX1 O75936 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
SCHEMBL21826646 0.83 PRMT1 (0.50) FOLH1LMNAMEN1TSHRKMT2A
SCHEMBL731378 0.79 MMP2 (0.39) CA12CA9
SCHEMBL17061026 0.79 FOLH1 (0.39) FOLH1NAALAD2LMNAMEN1HPGD
SCHEMBL3087186 0.76 FOLH1 (0.37) FOLH1NAALAD2LMNAMEN1HPGD
SCHEMBL9060867 0.75 LMNA (0.43) FOLH1NAALAD2LMNAMEN1HPGD
SCHEMBL285956 0.72 CA12 (0.33) MEN1KMT2ACA12CA9
SCHEMBL17187190 0.72 S1PR2 (0.40) CA12CA9
SCHEMBL2991000 0.71 FOLH1 (0.40) FOLH1NAALAD2LMNAMEN1HPGD
SCHEMBL5935325 0.71 FOLH1 (0.41) FOLH1NAALAD2LMNAMEN1HPGD
SCHEMBL4320919 0.70 LMNA (0.40) FOLH1NAALAD2LMNAMEN1HPGD

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-0012194-B1 PROCESS FOR THE PREPARATION OF N-CARBOXYALKYL-1-AMINOALKANE DIPHOSPHONIC ACIDS AND CARBOXYALKYLAMINO-PHENYL-METHANE DIPHOSPHONIC ACIDS Benckiser-Knapsack GmbH (DE) 1982-02-03 EP disclosed
US-4308147-A Composition and treating aqueous solutions with N-carboxy alkyl amino alkane polyphosphonic acids and their alkali metal salts BENCKISER-KNAPSACK GMBH (DE) 1981-12-29 US disclosed
US-4307038-A N-Carboxy alkyl amino alkane polyphosphonic acids BENCKISER-KNAPSACK GMBH (DE) 1981-12-22 US disclosed