SCHEMBL7886290

SCHEMBL7886290

O=C(O)[C@@]1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@@H](O)[C@@H](O)C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.62
MMP13 P45452 17/20 0.62
MMP2 P08253 3/20 0.59
MMP9 P14780 3/20 0.59
MMP3 P08254 2/20 0.59
MMP8 P22894 2/20 0.59
MMP12 P39900 1/20 0.57
MMP14 P50281 1/20 0.57
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL27415619 0.87 MMP1 (0.76) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7004525 0.86 MMP1 (0.80) MMP1MMP13MMP2MMP9MMP3
SCHEMBL4048453 0.86 MMP1 (0.80) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6869740 0.85 MMP1 (0.77) MMP1MMP13MMP2MMP9MMP3
Hydroxyamine SCHEMBL19181460 0.84 MMP1 (0.77) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7134741 0.84 MMP1 (0.56) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7886196 0.84 MMP1 (0.56) MMP1MMP13MMP2MMP9MMP3
SCHEMBL27448685 0.84 MMP1 (0.64) MMP1MMP13MMP2MMP9MMP3
SCHEMBL2575324 0.81 MMP1 (0.79) MMP1MMP13MMP2MMP9MMP3
SCHEMBL1080224 0.80 MMP1 (0.80) MMP1MMP13MMP2MMP9MMP3

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-6214870-B1 ANTIARTHRITIC AGENTS; ANTICANCER AGENTS PFIZER INC 2001-04-10 US disclosed