SCHEMBL8893414

SCHEMBL8893414

COc1cc(C)nc(COc2ccc(C3(C)OC(=O)N(Nc4ccccc4)C3=O)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.36
MMP13 P45452 2/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
MMP2 P08253 2/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
MMP15 P51511 1/20 0.34
MMP16 P51512 1/20 0.34
ADAM33 Q9BZ11 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
OPRL1 P41146 1/20 0.32

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
SCHEMBL8893403 0.90 MAPT (0.36) ADAM17MMP13SMN1; SMN2TSHRALDH1A1
SCHEMBL8892119 0.81 ADAM17 (0.36) ADAM17MMP13TSHRALDH1A1MMP2
SCHEMBL8893717 0.80 SIRT1 (0.36) ADAM17MMP13ALDH1A1LMNAMMP2
SCHEMBL9545815 0.79 MAOB (0.42) ADAM17MMP13ALDH1A1MMP2MMP1
SCHEMBL8893376 0.79 SIRT1 (0.41) ADAM17MMP13SMN1; SMN2LMNAMMP2
SCHEMBL9545818 0.78 MAOB (0.44) MMP13MMP2MMP1MMP9SIRT1
SCHEMBL8466140 0.78 L3MBTL1 (0.42) SMN1; SMN2TSHRALDH1A1HTTLMNA
SCHEMBL9202236 0.77 SIRT1 (0.37) ADAM17MMP13ALDH1A1MMP2MMP1
SCHEMBL8892271 0.76 LMNA (0.52) SMN1; SMN2TSHRALDH1A1LMNATDP1
SCHEMBL8903156 0.75 L3MBTL1 (0.46) MMP13ALDH1A1LMNAMMP2SIRT1

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
WO-1997038995-A1 FUNGICIDAL OXAZOLIDINEDIONE DERIVATIVES ZENECA LIMITED (GB) 1997-10-23 WO disclosed