SCHEMBL7990239

SCHEMBL7990239

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

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 8/20 0.78
HSD11B1 P28845 2/20 0.42
MMP2 P08253 2/20 0.41
MMP7 P09237 2/20 0.41
MMP14 P50281 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
METAP2 P50579 2/20 0.41
METAP1 P53582 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL7386826 0.88 MMP3 (1.00) MMP3MMP2MMP7MMP14MMP1
SCHEMBL7996699 0.87 MMP3 (0.76) MMP3ALDH1A1KMT2A
SCHEMBL7990560 0.81 MMP3 (0.79) MMP3HSD11B1MMP2MMP7MMP14
SCHEMBL7993490 0.78 MMP3 (0.78) MMP3
SCHEMBL7996980 0.77 MMP3 (0.69) MMP3
SCHEMBL1649329 0.74 METAP2 (0.54) MMP3METAP2METAP1ALDH1A1KMT2A
SCHEMBL7398298 0.72 MMP3 (1.00) MMP3MMP2MMP7MMP14MMP1
SCHEMBL10580468 0.72 HSD11B1 (0.52) MMP3HSD11B1MMP2MMP14MMP1
SCHEMBL7993523 0.71 MMP3 (0.70) MMP3MMP2MMP9ALDH1A1LMNA
SCHEMBL9317066 0.70 SOX18 (0.51) METAP2METAP1ALDH1A1KMT2A

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