SCHEMBL3923154

SCHEMBL3923154

COC(CC(CCN(C)Cc1cccc(Br)c1)C(=O)NO)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.53
CYP2D6 P10635 2/20 0.53
MMP9 P14780 2/20 0.53
MMP12 P39900 2/20 0.53
KCNH2 Q12809 2/20 0.53
MMP3 P08254 1/20 0.50

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
SCHEMBL640703 1.00 MMP1 (0.53) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL3923157 1.00 MMP1 (0.53) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL641215 0.89 MMP1 (0.57) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL4006383 0.89 MMP1 (0.57) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL641973 0.89 MMP1 (0.59) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL641476 0.88 MMP1 (0.63) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL639342 0.86 MMP1 (0.53) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL640394 0.85 MMP1 (0.48) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL641250 0.83 MMP1 (0.56) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL3925576 0.82 MMP1 (0.68) 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