SCHEMBL7996699

SCHEMBL7996699

COC(=O)c1c(CCS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)ccc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 11/20 0.76
ALDH1A1 P00352 2/20 0.40
NCEH1 Q6PIU2 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL7990239 0.87 MMP3 (0.78) MMP3ALDH1A1KMT2A
SCHEMBL7386826 0.86 MMP3 (1.00) MMP3ALDH1A1MEN1KMT2A
SCHEMBL1648068 0.76 NCEH1 (0.50) MMP3NCEH1MEN1KMT2A
SCHEMBL27854517 0.74 NCEH1 (0.52) MMP3NCEH1MEN1KMT2AMAPT
SCHEMBL7397190 0.73 MMP3 (1.00) MMP3KMT2A
SCHEMBL7990560 0.73 MMP3 (0.79) MMP3ALDH1A1MEN1KMT2A
SCHEMBL7398298 0.73 MMP3 (1.00) MMP3MEN1KMT2A
SCHEMBL27854489 0.72 NCEH1 (0.51) MMP3NCEH1MEN1KMT2AMAPT
SCHEMBL27876343 0.72 NCEH1 (0.56) MMP3ALDH1A1NCEH1MEN1KMT2A
SCHEMBL7993523 0.70 MMP3 (0.70) MMP3ALDH1A1MEN1KMT2AMAPT

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