SCHEMBL12898806

SCHEMBL12898806

CC/N=c1\ccc2c(-c3ccc(C(=O)C(C)(C)C)cc3C(=O)O)c3ccc(N(C)C)cc3oc-2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 1/20 0.45
▸ CA9 Q16790 4/20 0.40
▸ CA12 O43570 3/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GBA1 P04062 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ITPR1 Q14643 1/20 0.38
▸ HTR3A P46098 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ P2RY2 P41231 1/20 0.34
▸ SLC16A3 O15427 1/20 0.34

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
SCHEMBL13577577 0.92 P2RY6 (0.48) P2RY6CA9CA12CA1CA2
SCHEMBL14597230 0.92 P2RY6 (0.48) P2RY6CA9CA12CA1CA2
SCHEMBL15336458 0.90 P2RY6 (0.45) P2RY6CA9CA12CA1CA2
SCHEMBL13577578 0.86 P2RY6 (0.44) P2RY6CA9CA12CA1CA2
SCHEMBL14064053 0.86 MEN1 (0.48) P2RY6CA9CA12CA1CA2
SCHEMBL18286480 0.84 P2RY6 (0.60) P2RY6CA9CA12CA1CA2
SCHEMBL14597210 0.84 P2RY6 (0.51) P2RY6CA9CA12CA1CA2
SCHEMBL14415041 0.82 P2RY6 (0.48) P2RY6CA9CA12CA1CA2
SCHEMBL17777839 0.82 P2RY6 (0.48) P2RY6CA9CA12CA1CA2
SCHEMBL14383859 0.80 P2RY6 (0.47) P2RY6CA9CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879574-B2 Folded peptide backbone each end of which is conjugated to a fluorophore, which when cleaved as by digestion with a protease, the fluorophores provide high intensity signals; histology ONCOIMMUNIN, INC. (US) 2011-02-01 — — US disclosed
US-7541143-B2 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples ONCOIMMUNIN, INC. (US) 2009-06-02 — — US disclosed
US-20080199898-A1 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN, INC. (US) 2008-08-21 — — US disclosed
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