SCHEMBL9902890

SCHEMBL9902890

C=CC(=O)OC(C)Cc1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.44
OPRM1 P35372 9/20 0.41
OPRK1 P41145 6/20 0.41
OPRD1 P41143 6/20 0.41
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
PSMB5 P28074 2/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.37
OPRL1 P41146 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
SCHEMBL28905953 0.80 MME (0.47) MMEOPRM1OPRK1OPRD1SLC1A3
SCHEMBL28905941 0.80 MME (0.47) MMEOPRM1OPRK1OPRD1SLC1A3
SCHEMBL28453930 0.80 MME (0.47) MMEOPRM1OPRK1OPRD1SLC1A3
SCHEMBL9646933 0.80 CTSK (0.47) CTSKPTGS1
SCHEMBL9903748 0.79 MME (0.44) MMEOPRM1OPRK1OPRD1SLC1A3
SCHEMBL4905754 0.76 PPARG (0.45) PSMB5
SCHEMBL27637222 0.76 THRB (0.36) CTSKPTGS1PTGS2
SCHEMBL4905380 0.75 LDHA (0.57) ALDH1A1
SCHEMBL7418074 0.74 MME (0.56) MMEOPRM1OPRK1OPRD1SLC1A3
SCHEMBL9902253 0.74 ALOX5 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012076288-A1 COMPOSITE COMPRISING NANOPARTICLES AND METHOD OF MAKING NANOPARTICLES UNIVERSITE DE LIEGE (BE) 2012-06-14 WO disclosed
EP-2462898-A1 Composite comprising nanoparticles and method for making nanoparticles Université de Liège (BE) 2012-06-13 EP disclosed