SCHEMBL8059151

SCHEMBL8059151

CC(C(=O)O)(c1ccccc1)P(=O)(O)CCCc1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
GRM5 P41594 1/20 0.35
LTB4R Q15722 1/20 0.35
CETP P11597 4/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FDPS P14324 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL8058437 0.77 TBXAS1 (0.49) FDPS
SCHEMBL7608731 0.74 CETP (0.42) TSHRRAB9AGRM5CETPTAAR1
SCHEMBL8059146 0.72 CETP (0.36) GRM2GRM3POLBOPRM1OPRD1
SCHEMBL8061328 0.71 L3MBTL1 (0.40) GRM2GRM3TSHRPOLBOPRM1
SCHEMBL8046595 0.71 OPRM1 (0.36) GRM2GRM3POLBOPRM1OPRD1
SCHEMBL7744759 0.71 SLC13A5 (0.46) POLBCHRM3
SCHEMBL8059176 0.70 OPRM1 (0.38) GRM2GRM3POLBOPRM1OPRD1
SCHEMBL2318491 0.70 TAAR1 (0.47) TAAR1
SCHEMBL7746842 0.69 OPRM1 (0.42) GRM2GRM3OPRM1OPRD1OPRK1
SCHEMBL5053181 0.69 TSHR (0.41) TSHRRAB9APOLBOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed