SCHEMBL7607308

SCHEMBL7607308

CC(C(CCCCCC(=O)O)C(=O)O)P(=O)(O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
FOLH1 Q04609 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CPA1 P15085 1/20 0.40
CPA2 P48052 1/20 0.40
CPA4 Q9UI42 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL5052951 1.00 MAPT (0.44) MAPTRXFP1FOLH1NPSR1CPA1
SCHEMBL5057917 0.89 FOLH1 (0.48) FOLH1CPA1CPA2CPA4CPA3
SCHEMBL5054320 0.85 MAPT (0.44) MAPTRXFP1FOLH1NPSR1HDAC3
SCHEMBL5050953 0.84 MAPT (0.41) MAPTRXFP1FOLH1NPSR1HDAC3
SCHEMBL5053178 0.83 FFAR4 (0.43) MAPTRXFP1
SCHEMBL5054584 0.81 FOLH1 (0.39) MAPTRXFP1FOLH1HDAC3HDAC4
SCHEMBL5058025 0.79 FOLH1 (0.41) MAPTRXFP1FOLH1CPA1CPA2
SCHEMBL5058050 0.78 HDAC3 (0.41) MAPTRXFP1FOLH1CPA1CPA2
SCHEMBL7931943 0.77 CYP1A2 (0.46) FOLH1
SCHEMBL5054249 0.76 FOLH1 (0.46) FOLH1CPA1CPA2CPA4HDAC3

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-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed