SCHEMBL7653675

SCHEMBL7653675

O=C(O)CCCCCC(C(=O)O)C(Cc1ccccc1)[PH](=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.47
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LTA4H P09960 1/20 0.43
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC1A3 P43003 1/20 0.41

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
SCHEMBL7642964 0.89 CPA3 (0.55) CPA3LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL29728626 0.78 MAPT (0.50) CPA3MAPTRXFP1HDAC3HDAC4
SCHEMBL7644621 0.77 FFAR1 (0.42) CPA3NAALAD2
SCHEMBL7036604 0.76 KEAP1 (0.47) CPA3MAPTRXFP1HDAC3HDAC4
SCHEMBL28430963 0.75 CPA3 (0.75) CPA3MAPTRXFP1LTA4HHDAC3
SCHEMBL31303730 0.75 CPA3 (0.75) CPA3MAPTRXFP1LTA4HHDAC3
SCHEMBL11143841 0.75 CPA3 (0.75) CPA3MAPTRXFP1LTA4HHDAC3
SCHEMBL28600681 0.75 CPA3 (0.75) CPA3MAPTRXFP1LTA4HHDAC3
SCHEMBL8057699 0.74 LDHA (0.52) SMN1; SMN2
SCHEMBL26679347 0.73 CPA3 (0.77) CPA3MAPTRXFP1LTA4HNAALAD2

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