SCHEMBL7365037

SCHEMBL7365037

COc1cc(CC(=O)NCCCCCC(=O)O)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
CNR1 P21554 4/20 0.50
POLB P06746 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR2 P34972 2/20 0.47

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
SCHEMBL7355294 0.87 MTNR1A (0.58) ATMSMN1; SMN2
SCHEMBL7598913 0.86 ATM (0.60) ATMPOLB
SCHEMBL9654129 0.83 PTGS1 (0.60) ATMPOLBSMN1; SMN2
Methane SCHEMBL9655846 0.82 PTGS1 (0.59) ATMPOLBSMN1; SMN2
Methane SCHEMBL10588144 0.82 PTGS1 (0.59) ATMPOLBSMN1; SMN2
Methane SCHEMBL9654134 0.81 PTGS1 (0.60) ATMPOLBSMN1; SMN2
SCHEMBL7357729 0.80 L3MBTL1 (0.66) POLBMAPK1SMN1; SMN2
SCHEMBL5275656 0.77 CNR1 (0.53) CNR1CNR2
SCHEMBL7338221 0.77 POLB (0.79) ATMCNR1POLB
SCHEMBL3904019 0.77 ATM (0.58) ATMMAPK1SMN1; SMN2

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
WO-1996008463-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO disclosed