SCHEMBL5812

SCHEMBL5812

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
ADAM17 P78536 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.42
MAOB P27338 2/20 0.41
EPHX1 P07099 2/20 0.41
ALOX5 P09917 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PTPRZ1 P23471 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
PARP10 Q53GL7 1/20 0.39
FFAR1 O14842 2/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL6213 0.89 MAOB (0.55) MMP2MMP9ADAM17MAOBFFAR1
SCHEMBL5637 0.89 MMP2 (0.50) MMP2MMP9MMP14ADAM17MRGPRX4
SCHEMBL6159 0.85 PDE4A (0.43) ALOX5PTPRZ1RXRARXRBPARP10
SCHEMBL5798 0.83 CYP27B1 (0.46) ADAM17MAOBALOX5RXRARXRB
SCHEMBL5810 0.78 MMP1 (0.48) MMP1MMP2MMP9MMP14ADAM17
SCHEMBL11898794 0.77 ADAMTS4 (0.47) ADAM17ALOX5CYP19A1CYP11B1CYP11B2
SCHEMBL6074 0.77 CA12 (0.46) MMP9
SCHEMBL11899995 0.76 PARP10 (0.48) ALOX5ALDH1A1PARP10PPARG
SCHEMBL27678084 0.74 RXRA (0.51) MMP1MMP2MMP9MMP14ADAM17
SCHEMBL12050 0.72 ACACB (0.43) ALDH1A1FFAR1PPARG

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