SCHEMBL8679797

SCHEMBL8679797

O=C(O)CCC(C(=O)O)C(c1ccncc1)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.45
GRM8 O00222 1/20 0.44
GRM4 Q14833 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.39
GGH Q92820 1/20 0.38
BCHE P06276 1/20 0.36
GRM3 Q14832 2/20 0.36
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FDPS P14324 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL8457126 0.75 GGH (0.44) FOLH1NAALAD2GGHCYP1A2CYP2C19
SCHEMBL7649639 0.73 BCHE (0.40) FOLH1GRM8GRM4NAALAD2BCHE
SCHEMBL7050992 0.72 CYP1A2 (0.36) FOLH1GRM8GRM4BCHECYP1A2
SCHEMBL7615307 0.72 BCHE (0.36) FOLH1GRM8GRM4NAALAD2BCHE
SCHEMBL10372633 0.72 BCHE (0.46) GRM8GRM4BCHEKDM4EHSD17B10
SCHEMBL5060196 0.71 CPA3 (0.44) FOLH1GGH
SCHEMBL7050154 0.71 CYP1A2 (0.37) GRM8GRM4BCHECYP1A2CYP2C9
SCHEMBL7651193 0.71 GRM8 (0.47) GRM8GRM4ANPEPERAP2ERAP1
SCHEMBL5059853 0.71 GGH (0.36) FOLH1GRM8GRM4GGHBCHE
SCHEMBL6495705 0.71 BCHE (0.44) GRM8GRM4BCHEKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998047906-A1 PHOSPHONIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1998-10-29 WO claimed
WO-1998047906-A1 PHOSPHONIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1998-10-29 WO disclosed