SCHEMBL6314962

SCHEMBL6314962

COc1ccc(-c2nc(CC(=O)NO)oc2-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
MMP12 P39900 4/20 0.48
MMP14 P50281 4/20 0.48
MMP1 P03956 3/20 0.48
MMP3 P08254 3/20 0.48
MMP8 P22894 3/20 0.48
MMP13 P45452 3/20 0.48
MMP16 P51512 3/20 0.48
SCN9A Q15858 2/20 0.46
ADAM17 P78536 1/20 0.46
F10 P00742 7/20 0.44
RXRA P19793 2/20 0.43
NR4A2 P43354 4/20 0.42
F2 P00734 1/20 0.42
RXRB P28702 1/20 0.40
PPARD Q03181 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40

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
SCHEMBL6307769 0.90 HDAC1 (0.47) MMP2MMP9MMP12MMP14MMP1
SCHEMBL6309782 0.87 NR4A2 (0.49) SCN9AF10RXRANR4A2F2
SCHEMBL6308687 0.87 NR4A2 (0.44) RXRANR4A2RXRBNR4A1NR4A3
SCHEMBL6310938 0.87 NR4A2 (0.49) F10RXRANR4A2RXRBNR4A1
SCHEMBL6315580 0.85 PTGS2 (0.45) SCN9AF10RXRANR4A2F2
SCHEMBL6315005 0.85 PTGS2 (0.45) SCN9AF10RXRA
SCHEMBL8553402 0.85 SCN9A (0.44) SCN9AF10RXRANR4A2F2
SCHEMBL6314953 0.84 CA9 (0.49) MMP2MMP9MMP12MMP14MMP1
SCHEMBL6316519 0.83 F10 (0.43) SCN9AF10RXRANR4A2F2
SCHEMBL8561179 0.83 NR4A2 (0.51) RXRANR4A2RXRBNR4A1NR4A3

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
US-6875785-B2 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors PHARMACIA CORPORATION (US) 2005-04-05 US claimed