SCHEMBL10770

SCHEMBL10770

CSC(CCC(N)=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
PTGS2 P35354 1/20 0.44
FFAR1 O14842 3/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IKBKB O14920 1/20 0.37

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
SCHEMBL11831903 0.88 FFAR1 (0.46) MMP9PTGS2FFAR1SMN1; SMN2
SCHEMBL11837111 0.85 MMP2 (0.45) MMP2MMP9PTGS2FFAR1KMT2A
SCHEMBL11829934 0.76 MMP2 (0.50) MMP2MMP9PTGS2FFAR1KMT2A
SCHEMBL11829237 0.76 FFAR1 (0.44) MMP2MMP9PTGS2FFAR1CHRNB2
SCHEMBL6397691 0.75 SLC6A3 (0.42) MMP2MMP9KMT2AHPGDSMN1; SMN2
SCHEMBL10158 0.75 MMP9 (0.52) MMP2MMP9PTGS2FFAR1
SCHEMBL11832271 0.74 FFAR1 (0.41) MMP2MMP9PTGS2FFAR1CHRNB2
SCHEMBL11825640 0.73 FFAR1 (0.44) MMP9PTGS2FFAR1SMN1; SMN2
SCHEMBL11829227 0.71 PTGS2 (0.45) MMP9PTGS2FFAR1SMN1; SMN2
Biphenyl SCHEMBL8982412 0.70 KMT2A (0.70) MMP2MMP9KMT2A

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