SCHEMBL7608731

SCHEMBL7608731

O=P(O)(CCCc1ccsc1)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.42
SRC P12931 1/20 0.41
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
GRM5 P41594 1/20 0.38
ANPEP P15144 1/20 0.38
LAP3 P28838 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
RAB9A P51151 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36

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
SCHEMBL7605242 0.93 SRC (0.44) CETPSRCTSHRL3MBTL1GRM5
SCHEMBL3245338 0.80 SRC (0.61) CETPSRCL3MBTL1ANPEPLAP3
SCHEMBL5051185 0.78 MAPT (0.40) CETPTSHRSLC1A3SLC1A2SLC1A1
SCHEMBL7637647 0.75 CETP (0.58) CETPSRC
SCHEMBL8061328 0.75 L3MBTL1 (0.40) CETPTSHRL3MBTL1GRM5TAAR1
SCHEMBL7641415 0.74 TBXAS1 (0.54) ANPEP
SCHEMBL5053072 0.74 MAPT (0.40) CETPTSHRL3MBTL1GRM5SLC1A3
SCHEMBL8059151 0.74 GRM2 (0.38) CETPTSHRGRM5TAAR1RAB9A
SCHEMBL2318491 0.74 TAAR1 (0.47) TAAR1
SCHEMBL17626510 0.73 CETP (0.67) CETPSRC

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 5 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
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 disclosed
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 disclosed