SCHEMBL7434294

SCHEMBL7434294

CCOC(=O)C1(C(=O)O)CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
OPRM1 P35372 6/20 0.47
OPRD1 P41143 4/20 0.47
OPRK1 P41145 4/20 0.47
SLC22A1 O15245 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47
BRD4 O60885 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL21788668 0.87 SMN1; SMN2 (0.44) SMN1; SMN2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL5753305 0.84 SMN1; SMN2 (0.49) SMN1; SMN2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL433287 0.81 HDAC9 (0.50) HDAC9
SCHEMBL5204567 0.80 HDAC9 (0.40) LMNAHDAC9
Trimethylammonium SCHEMBL27680853 0.79 HDAC9 (0.45) LMNAHDAC9
SCHEMBL1455575 0.78 OPRM1 (0.45) SMN1; SMN2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL30596332 0.78 OPRM1 (0.45) SMN1; SMN2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL12185878 0.77 OPRM1 (0.44) SMN1; SMN2OPRM1OPRD1OPRK1SLC22A1
Biphenyl SCHEMBL27506403 0.77 HDAC9 (0.46) HDAC9
SCHEMBL14214939 0.75 OPRM1 (0.51) SMN1; SMN2OPRM1OPRD1OPRK1SLC22A1

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
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed