SCHEMBL3927780

SCHEMBL3927780

CCCCN(C)CC[C@@H](CC(OC)c1ccc(F)cc1)C(=O)NO

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.61
CYP2D6 P10635 2/20 0.61
MMP9 P14780 2/20 0.61
MMP12 P39900 2/20 0.61
KCNH2 Q12809 2/20 0.61
MMP3 P08254 1/20 0.61

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
SCHEMBL640434 1.00 MMP1 (0.61) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL3934284 0.89 MMP1 (0.59) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL3938548 0.88 MMP1 (0.72) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL639333 0.88 MMP1 (0.72) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL640186 0.88 MMP1 (0.72) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL640185 0.88 MMP1 (0.72) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL639180 0.88 MMP1 (0.72) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL641348 0.87 MMP1 (0.57) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL639551 0.87 MMP1 (0.63) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL640798 0.86 MMP1 (0.56) MMP1CYP2D6MMP9MMP12KCNH2

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-2009008920-A2 HYDROXAMIC ACID DERIVATIVES OF 4-PHENYL 4-HYDROXY, 4-PHENYL 4-ALKOXY AND 4-PHENYL 4-ARYLALKOXY BUTYRIC ACID USEFUL AS THERAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARMA, LLC. (US) 2009-01-15 WO disclosed