SCHEMBL751087

SCHEMBL751087

CCC(O)C1COC(c2ccccc2)(C(O)c2ccccc2)O1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
OPRL1 P41146 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30

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
SCHEMBL749306 0.90 OPRM1 (0.36) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL750091 0.88 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL751089 0.87 ALDH1A1 (0.34) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL750051 0.87 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1
SCHEMBL747689 0.85 OPRM1 (0.35) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL751246 0.85 OPRL1 (0.33) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL750086 0.84 OPRM1 (0.36) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL747100 0.82 ADRA1A (0.37) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL749250 0.79 OPRL1 (0.34) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL749051 0.79 HTR1A (0.36) HTR1AADRA1DADRA1AADRA1B

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-2152812-B1 DEGASSING COMPOSITIONS FOR CURABLE COATINGS TROY TECHNOLOGY CORP INC (US) 2012-03-21 EP claimed