SCHEMBL7990037

SCHEMBL7990037

O=C(O)c1c(C=CCOc2ccc(-c3ccc(Cl)cc3)cc2)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.50
ALOX5 P09917 1/20 0.41
ALOX5AP P20292 1/20 0.41
DHODH Q02127 5/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCL1 Q07820 1/20 0.39
PTGES O14684 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
PTGER4 P35408 1/20 0.38
TRPM4 Q8TD43 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38

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
SCHEMBL7990034 1.00 MMP3 (0.50) MMP3ALOX5ALOX5APDHODHMAPT
SCHEMBL7399256 0.81 MMP3 (0.43) MMP3ALOX5ALOX5APMAPTL3MBTL1
SCHEMBL7399254 0.81 MMP3 (0.43) MMP3ALOX5ALOX5APMAPTL3MBTL1
SCHEMBL7993490 0.76 MMP3 (0.78) MMP3MAPTMCL1PTGER4
SCHEMBL7996980 0.75 MMP3 (0.69) MMP3MAPTL3MBTL1MCL1
SCHEMBL9043523 0.69 PTPRC (0.49) MAPT
SCHEMBL9043517 0.69 PTPRC (0.49) MAPT
SCHEMBL27752593 0.69 AOC3 (0.49)
SCHEMBL7996733 0.69 MMP3 (0.49) MMP3MAPTL3MBTL1TRPM4
SCHEMBL7991540 0.68 MMP3 (0.76) MMP3MAPTL3MBTL1MCL1PTGER4

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-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US disclosed