SCHEMBL747106

SCHEMBL747106

CC(O)C1CCOC(c2ccccc2)(C(O)c2ccccc2)O1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL751246 0.86 OPRL1 (0.33) ALDH1A1GLASMN1; SMN2L3MBTL1CHRM2
SCHEMBL751089 0.86 ALDH1A1 (0.34) ALDH1A1GLASMN1; SMN2L3MBTL1CHRM2
SCHEMBL751116 0.85 OPRM1 (0.34) ALDH1A1GLASMN1; SMN2CHRM2CHRM4
SCHEMBL751250 0.84 OPRM1 (0.35) ALDH1A1GLASMN1; SMN2CHRM2CHRM4
SCHEMBL748992 0.83 ALDH1A1 (0.35) ALDH1A1GLASMN1; SMN2L3MBTL1CHRM2
SCHEMBL749571 0.82 OPRM1 (0.34) ALDH1A1GLASMN1; SMN2CHRM2CHRM4
SCHEMBL752202 0.82 OPRM1 (0.37) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL751277 0.81 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1
SCHEMBL747694 0.80 ALDH1A1 (0.36) ALDH1A1GLASMN1; SMN2CHRM2CHRM4
SCHEMBL748718 0.78 ALDH1A1 (0.34) ALDH1A1GLASMN1; SMN2CHRM2CHRM4

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