SCHEMBL6212

SCHEMBL6212

CS(=O)(=O)NC(=O)CCCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
RXRA P19793 3/20 0.48
NR1H2 P55055 3/20 0.48
ADAMTS4 O75173 1/20 0.48
MMP13 P45452 1/20 0.48
PSEN1 P49768 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MCL1 Q07820 1/20 0.46
NR1H3 Q13133 1/20 0.46
SLC6A5 Q9Y345 1/20 0.45

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
SCHEMBL5811 0.89 MMP2 (0.54) MEN1KMT2AMMP2MMP9FFAR1
SCHEMBL5797 0.86 EPHX2 (0.53) MAOBADAMTS4MMP13FFAR1FFAR4
SCHEMBL6158 0.85 LTA4H (0.46) MMP2MMP9ADAMTS4MMP13FFAR1
SCHEMBL5636 0.81 MMP2 (0.56) MAOBMMP2MMP9FFAR1FFAR4
SCHEMBL6073 0.78 L3MBTL1 (0.56) MEN1KMT2AFFAR1
SCHEMBL11898793 0.78 CYP4F2 (0.51) MEN1KMT2AADAMTS4MMP13
SCHEMBL11899994 0.77 LTA4H (0.61) FFAR1
SCHEMBL18002977 0.77 MAOB (0.63) MAOBFFAR1FFAR4SLC6A5
SCHEMBL12049 0.77 LTA4H (0.50) FFAR1
SCHEMBL15453908 0.75 CA12 (0.47) MAOBMMP2MMP9MMP13FFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 WO disclosed