SCHEMBL12716702

SCHEMBL12716702

CCCC1(C)c2cc(CP(=O)(OCC)OCC)ccc2-c2ccc(CP(=O)(OCC)OCC)cc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 5/20 0.34
▸ CDK9 P50750 5/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ EGFR P00533 1/20 0.31

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
SCHEMBL12793513 0.89 NPY5R (0.30) CCNT1CDK9NPY5R
SCHEMBL14031316 0.89 — —
SCHEMBL3298700 0.85 CCNT1 (0.37) CCNT1CDK9HDAC1NPY5RMAPT
SCHEMBL14536807 0.83 NPY5R (0.36) CCNT1CDK9HDAC1NPY5RMAPT
SCHEMBL31070055 0.80 MMP2 (0.36) —
SCHEMBL21591017 0.80 MMP2 (0.36) —
SCHEMBL31070056 0.80 MMP2 (0.36) —
SCHEMBL13780011 0.78 HDAC1 (0.39) CCNT1CDK9HDAC1NPY5RMAPT
SCHEMBL13242789 0.78 CCNT1 (0.33) CCNT1CDK9HDAC1NPY5RMAPT
SCHEMBL13444573 0.76 NPY5R (0.32) CCNT1CDK9HDAC1NPY5REGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923193-B2 Photopolymerizable composition AGFA GRAPHICS NV (BE) 2011-04-12 — — US disclosed
US-7749683-B2 Photopolymerizable composition AGFA GRAPHICS NV (BE) 2010-07-06 — — US disclosed
US-20090111052-A1 PHOTOPOLYMERIZABLE COMPOSITION AGFA GRAPHICS NV (BE) 2009-04-30 — — US disclosed
US-20090104562-A1 PHOTOPOLYMERIZABLE COMPOSITION AGFA GRAPHICS NV (BE) 2009-04-23 — — US disclosed
US-7439537-B2 Divinylfluorenes AGFA GRAPHICS, N.V. (BE) 2008-10-21 — — US disclosed
US-7241557-B2 Printing plate precursor, sensitivity AGFA GRAPHICS NV (BE) 2007-07-10 — — US disclosed
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