SCHEMBL7645503

SCHEMBL7645503

O=C(O)CCC(C(=O)O)N(c1cccnc1)[PH](=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.40
NAPRT Q6XQN6 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
FFAR1 O14842 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
SCHEMBL3380603 0.85 CPA3 (0.41) KDM4EGAATSHR
SCHEMBL7645872 0.84 BCHE (0.36) TBXAS1NAPRTKDM4EGAATSHR
SCHEMBL2230081 0.78 TBXAS1 (0.42) TBXAS1NAPRT
SCHEMBL7644687 0.75 HDAC1 (0.38) NAPRTKDM4EHDAC6TSHRFFAR1
SCHEMBL7644468 0.75 SLC1A3 (0.33) KDM4E
SCHEMBL7650927 0.75 TSHR (0.41) TBXAS1KDM4EHTTGAATSHR
SCHEMBL28817540 0.72 HTT (0.38) TBXAS1HTTHDAC6
SCHEMBL7648560 0.71 POLB (0.38) KDM4EGAATSHRFFAR1
SCHEMBL3380508 0.69 CPA3 (0.46) KDM4EHDAC6TSHRFFAR1
SCHEMBL3380552 0.68 HDAC1 (0.49) HDAC6FFAR1

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
JP-2002515040-A 2002-05-21 JP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed