SCHEMBL8046595

SCHEMBL8046595

CCP(=O)(O)C(Cc1ccsc1)(C(=O)O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
GRM5 P41594 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CETP P11597 3/20 0.32
HPGD P15428 1/20 0.32
FDPS P14324 1/20 0.32

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
SCHEMBL8059146 0.90 CETP (0.36) OPRM1OPRD1OPRK1GRM5CHRM2
SCHEMBL8059176 0.87 OPRM1 (0.38) OPRM1OPRD1OPRK1GRM5CHRM2
SCHEMBL8046493 0.76 FDPS (0.55) HIF1AFDPS
SCHEMBL7746842 0.73 OPRM1 (0.42) OPRM1OPRD1OPRK1GRM5CHRM2
SCHEMBL8059151 0.71 GRM2 (0.38) OPRM1OPRD1OPRK1GRM5CHRM2
SCHEMBL8061431 0.69 KDM4E (0.45) SMN1; SMN2POLBL3MBTL1SLC6A2HIF1A
SCHEMBL10806221 0.68 OPRM1 (0.42) OPRM1OPRD1OPRK1POLBL3MBTL1
SCHEMBL27788552 0.68 OPRM1 (0.42) OPRM1OPRD1OPRK1POLBL3MBTL1
SCHEMBL8058563 0.68 GRM2 (0.39) OPRM1OPRD1OPRK1GRM5CHRM2
SCHEMBL17568840 0.67 OPRM1 (0.41) OPRM1OPRD1OPRK1GRM5CHRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
EP-0936914-A4 1999-08-25 EP disclosed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP disclosed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed