SCHEMBL6785191

SCHEMBL6785191

CCOC(=O)C12C=CC(CC1)O2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 5/20 0.33
SLC22A1 O15245 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
KCNH2 Q12809 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL5718172 1.00 MEN1 (0.34) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL20468466 0.69 ATM (0.32) MEN1KMT2APOLBOPRM1SLC22A1
SCHEMBL6617476 0.69 CTDSP1 (0.36) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL20465367 0.68 SLC22A1 (0.32) MEN1KMT2APOLBALDH1A1SLC22A1
SCHEMBL19968798 0.67 NFKB1 (0.35) POLBSMN1; SMN2
SCHEMBL4926717 0.66 ATM (0.37) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL38663307 0.66 SMN1; SMN2 (0.32) OPRM1SLC22A1SMN1; SMN2OPRD1OPRK1
SCHEMBL20021553 0.66 OPRM1 (0.32) OPRM1OPRD1OPRK1ATM
SCHEMBL6161155 0.66 OPRM1 (0.35) MEN1KMT2APOLBOPRM1SLC22A1
SCHEMBL18482794 0.65 MEN1 (0.32) MEN1KMT2APOLBOPRM1SLC22A1

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
US-6790964-B1 HYDROXY OR ALKOXY IN THE 5-POSITION; DECYCLIZATION OF A 5-HYDROXY-7- OXABICYCLO(4.1.0)HEPT-2-ENE-3-CARBOXYLATE WITH AN AMINE TO GIVE AMINODIOL, SULFONYLATING, REACTION WITH ALCOHOL; SAGAMI CHEMICAL RESEARCH CENTER (JP) 2004-09-14 US disclosed