SCHEMBL7928562

SCHEMBL7928562

CCCCC(C(CCCC(=O)O)c1ccccc1)P(=O)(O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
CETP P11597 4/20 0.38
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.37
HDAC3 O15379 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA1A P35348 1/20 0.37
HDAC4 P56524 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL5058050 0.83 HDAC3 (0.41) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL7928559 0.82 POLB (0.39) CETPCNR2POLBMAPK1SMN1; SMN2
SCHEMBL5054584 0.81 FOLH1 (0.39) CETPCNR2HDAC3HDAC4HDAC1
SCHEMBL5054325 0.80 HDAC3 (0.38) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL5058025 0.78 FOLH1 (0.41) CYSLTR2CYSLTR1CETPHDAC3MAPK1
SCHEMBL5053178 0.78 FFAR4 (0.43) CYSLTR2CYSLTR1CETP
SCHEMBL5134278 0.77 ACP3 (0.49) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL7929239 0.76 CETP (0.42) CETPCNR2MAPK1SMN1; SMN2
SCHEMBL7928565 0.75 POLB (0.39) CETPCNR2POLB
SCHEMBL5060648 0.74 CETP (0.46) CETPCNR2

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-0994707-A4 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-14 EP claimed
EP-0994707-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-26 EP claimed
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 WO claimed