SCHEMBL6378913

SCHEMBL6378913

CCC1(Oc2ccc(OCc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 5/20 0.56
▸ MMP14 P50281 1/20 0.54
▸ MMP2 P08253 1/20 0.50
▸ CTSL P07711 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ MAOB P27338 8/20 0.48
▸ APP P05067 1/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45

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
SCHEMBL6379044 0.86 MMP13 (0.50) MMP13MMP14MMP2CTSLCTSB
SCHEMBL6379256 0.85 MMP13 (0.59) MMP13MMP14CTSLCTSB
SCHEMBL6377050 0.84 MMP13 (0.54) MMP13MMP14MMP2CTSLCTSB
SCHEMBL6383331 0.84 MMP13 (0.54) MMP13MMP14MMP2CTSLCTSB
SCHEMBL6380903 0.83 MMP13 (0.46) MMP13MMP14MMP2CTSLCTSB
SCHEMBL6379245 0.81 CTSL (0.48) MMP13MMP2CTSLCTSBMAOB
SCHEMBL6379189 0.79 CTSL (0.49) MMP13MMP2CTSLCTSBMAOB
SCHEMBL6375133 0.77 CA12 (0.56) MMP13MMP14MMP2CTSLCTSB
SCHEMBL6377388 0.77 MAOB (0.49) MMP13MMP2CTSLCTSBMAOB
SCHEMBL6380600 0.75 MMP13 (0.49) MMP13MMP14MMP2CTSLCTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202974-B1 PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PROD INC (US) 2005-11-09 — — EP disclosed
US-6579982-B1 Treating inflammation, cancer PFIZER INC. 2003-06-17 — — US disclosed
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