SCHEMBL6509886

SCHEMBL6509886

COC(=O)C(CC(C)C)Nc1cc(Br)cc(Sc2ccc(OC)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.44
TAS1R1 Q7RTX1 7/20 0.44
ANPEP P15144 2/20 0.43
CTSK P43235 3/20 0.40
ADAM17 P78536 3/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
MMP9 P14780 2/20 0.38

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
SCHEMBL6509874 1.00 TAS1R3 (0.44) TAS1R3TAS1R1ANPEPCTSKADAM17
SCHEMBL6515272 0.84 TAS1R3 (0.42) TAS1R3TAS1R1ANPEPCTSKADAM17
SCHEMBL6515278 0.84 TAS1R3 (0.42) TAS1R3TAS1R1ANPEPCTSKADAM17
SCHEMBL6512154 0.81 TAS1R3 (0.43) TAS1R3TAS1R1ANPEPADAM17MMP1
SCHEMBL6512159 0.81 TAS1R3 (0.43) TAS1R3TAS1R1ANPEPADAM17MMP1
SCHEMBL6509993 0.80 CTSK (0.43) TAS1R3TAS1R1CTSK
SCHEMBL6510002 0.80 CTSK (0.43) TAS1R3TAS1R1CTSK
SCHEMBL8298692 0.79 TAS1R3 (0.41) TAS1R3TAS1R1ANPEPADAM17MMP1
SCHEMBL6532806 0.79 TAS1R3 (0.41) TAS1R3TAS1R1ANPEPADAM17MMP1
SCHEMBL8297653 0.74 TAS1R3 (0.43) TAS1R3TAS1R1ANPEP

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-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO disclosed