SCHEMBL6213

SCHEMBL6213

CS(=O)(=O)C(CCC(N)=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.55
FFAR1 O14842 3/20 0.51
PPARG P37231 1/20 0.51
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46
PTPRC P08575 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPRB P23467 1/20 0.43
PTPN6 P29350 1/20 0.43
CDC25A P30304 1/20 0.43
PTPN11 Q06124 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ADAM17 P78536 1/20 0.42

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
SCHEMBL5812 0.89 MMP1 (0.47) MAOBFFAR1PPARGMMP2MMP9
SCHEMBL5798 0.85 CYP27B1 (0.46) MAOBADAMTS4MMP13ADAM17
SCHEMBL6159 0.85 PDE4A (0.43) FFAR1
SCHEMBL5637 0.81 MMP2 (0.50) MAOBFFAR1MMP2MMP9ADAM17
SCHEMBL6211 0.78 MAOB (0.57) MAOBFFAR1PPARGMMP2MMP9
SCHEMBL11898794 0.77 ADAMTS4 (0.47) ADAMTS4MMP13ADAM17
SCHEMBL6074 0.77 CA12 (0.46) MMP9MMP13
SCHEMBL11899995 0.76 PARP10 (0.48) PPARG
SCHEMBL9475309 0.75 ALOX5 (0.72) MAOBFFAR1PPARG
SCHEMBL12050 0.75 ACACB (0.43) FFAR1PPARG

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