SCHEMBL6834151

SCHEMBL6834151

O=C(O)c1ccc(Cn2cnc3ccc(C#CCN4CCCCC4)cc3c2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 1.00

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
Trifluoroacetic Acid SCHEMBL6830140 0.95 MMP13 (0.90) MMP13
SCHEMBL6835785 0.91 MMP13 (0.83) MMP13
SCHEMBL6833710 0.91 MMP13 (1.00) MMP13
SCHEMBL6835871 0.87 MMP13 (0.77) MMP13
Trifluoroacetic Acid SCHEMBL6830520 0.86 MMP13 (0.90) MMP13
SCHEMBL6830143 0.86 MMP13 (0.76) MMP13
Trifluoroacetic Acid SCHEMBL6833136 0.86 MMP13 (0.76) MMP13
SCHEMBL5697007 0.84 MMP13 (1.00) MMP13
Trifluoroacetic Acid SCHEMBL6833117 0.83 MMP13 (0.71) MMP13
SCHEMBL6297355 0.83 MMP13 (0.87) MMP13

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-6747147-B2 INHIBITORS OF TYPE-13 MATRIX METTALOPROTEASE. RHEUMATOID ARTHRITIS OR OSTEOARTHRITIS, AS WELL AS CERTAIN PROLIFERATIVE CONDITIONS SUCH AS CANCERS, PARTICULARLY HUMAN BREAST CANCER WARNER-LAMBERT COMPANY 2004-06-08 US claimed