SCHEMBL11001228

SCHEMBL11001228

CCC1(C)Oc2ccc(O)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
XDH P47989 1/20 0.44
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
OPRM1 P35372 4/20 0.35
AKT1 P31749 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 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
SCHEMBL11001796 0.82 OPRM1 (0.40) PTGS1PTGS2XDHMAPTKDM4E
SCHEMBL11009667 0.80 TP53 (0.41) PTGS1PTGS2XDHMAPTKDM4E
SCHEMBL11005595 0.80 TP53 (0.41) PTGS1PTGS2XDHMAPTKDM4E
SCHEMBL11005331 0.80 TP53 (0.41) PTGS1PTGS2XDHMAPTKDM4E
SCHEMBL2271198 0.79 TSHR (0.56) PTGS1PTGS2XDHMAPTKDM4E
SCHEMBL14284015 0.78 PTGS2 (0.41) PTGS1PTGS2XDHMAPTKDM4E
SCHEMBL9428666 0.77 MAPT (0.49) MAPTKDM4EALDH1A1ALOX15ALOX12
SCHEMBL31085029 0.77 AHR (0.43) MAPTALOX15ALOX12TSHR
SCHEMBL17973952 0.76 MAPT (0.42) PTGS1PTGS2XDHMAPTKDM4E
SCHEMBL11586028 0.75 ALDH1A1 (0.46) MAPTKDM4EALDH1A1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314693-B2 Electrophotographic photoconductor, electrophotographic process, electrophotographic apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2008-01-01 US disclosed
US-7314693-B2 Electrophotographic photoconductor, electrophotographic process, electrophotographic apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2008-01-01 US disclosed
US-4499115-A FOR FOODS UNISEARCH LIMITED (AU) 1985-02-12 US disclosed