SCHEMBL9769528

SCHEMBL9769528

C=C(C)C(=O)OCCSc1ccc(/N=N/c2ccc(S(=O)(=O)CC(C)CC)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.32
MMP1 P03956 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
THRB P10828 1/20 0.31
TSHR P16473 2/20 0.30

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
SCHEMBL9317095 1.00 MMP13 (0.32) MMP13MMP1CA12CA1CA2
SCHEMBL9317101 1.00 MMP13 (0.32) MMP13MMP1CA12CA1CA2
SCHEMBL9317778 0.92 TSHR (0.38) CA2TSHR
SCHEMBL9317774 0.92 TSHR (0.38) CA2TSHR
SCHEMBL9316989 0.88 MMP13 (0.33) MMP13MMP1CA12CA1CA2
SCHEMBL9316992 0.88 MMP13 (0.33) MMP13MMP1CA12CA1CA2
SCHEMBL9769527 0.86 MMP13 (0.32) MMP13MMP1CA12CA1CA2
SCHEMBL9318769 0.86 MMP13 (0.32) MMP13MMP1CA12CA1CA2
SCHEMBL9318763 0.86 MMP13 (0.32) MMP13MMP1CA12CA1CA2
SCHEMBL9317128 0.84 POLB (0.41) MMP13MMP1THRB

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-5075796-A OPTICAL ARTICLE FOR MULTICOLOR IMAGING EASTMAN KODAK COMPANY (US) 1991-12-24 US disclosed