SCHEMBL7653130

SCHEMBL7653130

O=C(O)CCC(C(=O)O)N(c1cccc2[nH]ccc12)[PH](=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC3 O15379 3/20 0.33
HDAC4 P56524 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33
HDAC10 Q969S8 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC9 Q9UKV0 3/20 0.33
HDAC5 Q9UQL6 3/20 0.33
ADAM17 P78536 1/20 0.33
GLS O94925 1/20 0.32
HPGDS O60760 2/20 0.32
EPOR P19235 1/20 0.32
MAPK14 Q16539 1/20 0.31
HTR1A P08908 1/20 0.31
AHR P35869 1/20 0.31
CPA3 P15088 1/20 0.30

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
SCHEMBL7653284 0.86 ADAM17 (0.45) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7613557 0.77 HPGDS (0.40) HPGDSMAPK14AHRMEN1NPC1
SCHEMBL3380603 0.73 CPA3 (0.41) EPORCPA3ALDH1A1
SCHEMBL7650841 0.71 CCKBR (0.41) EPORMEN1ALDH1A1KMT2A
SCHEMBL7647520 0.71 HDAC1 (0.35) PARP1HDAC1HDAC2HDAC3HDAC4
SCHEMBL7648560 0.68 POLB (0.38) EPORCPA3MEN1NPC1ALDH1A1
SCHEMBL7645872 0.67 BCHE (0.36) EPORCPA3ALDH1A1
SCHEMBL7644687 0.67 HDAC1 (0.38) HDAC1HDAC2HDAC3HDAC4HDAC6
SCHEMBL7644468 0.66 SLC1A3 (0.33) EPORCPA3ALDH1A1
SCHEMBL7645503 0.66 TBXAS1 (0.40) HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A 2002-05-21 JP claimed
JP-2002514157-A 2002-05-14 JP claimed
EP-0957924-A4 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARM INC (US) 2000-04-12 EP claimed
EP-0957924-A1 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-24 EP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
WO-1997048399-A1 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed