SCHEMBL7614845

SCHEMBL7614845

O=C(O)CCC(OP(=O)(O)CCc1cccs1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 2/20 0.43
CYP2C19 P33261 1/20 0.42
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
GGH Q92820 1/20 0.39
FOLH1 Q04609 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FPGS Q05932 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35

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
SCHEMBL5051238 0.87 POLB (0.46) POLBTDP1NPC1CYP2C19SLC1A3
SCHEMBL5051276 0.82 FOLH1 (0.50) GGHFOLH1SMN1; SMN2TSHRACE
SCHEMBL7609509 0.79 ERAP2 (0.40) FOLH1SMN1; SMN2RAB9AALDH1A1TSHR
SCHEMBL1376074 0.78 ACE (0.51) FOLH1SMN1; SMN2MAPTACE
SCHEMBL5054416 0.78 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1FOLH1ACE
SCHEMBL5053099 0.77 ACE (0.55) FOLH1SMN1; SMN2MAPTACE
SCHEMBL7614354 0.76 CYP2C19 (0.40) POLBTDP1CYP2C19GGHFOLH1
SCHEMBL7606078 0.76 SMN1; SMN2 (0.41) TDP1NPC1CYP2C19FOLH1SMN1; SMN2
SCHEMBL5054580 0.75 FFAR1 (0.43) TDP1SLC1A3SLC1A2SLC1A1FOLH1
SCHEMBL5059776 0.75 TBXAS1 (0.50) KDM4E

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