SCHEMBL10120083

SCHEMBL10120083

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)COc3cccc(Cl)c3)cc2)cc1)[C@@H]1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 3/20 0.46
CPT1A P50416 3/20 0.46
EP300 Q09472 4/20 0.44
CREBBP Q92793 4/20 0.44
HDAC8 Q9BY41 3/20 0.43
MAPT P10636 1/20 0.42
PABPC1 P11940 1/20 0.41
CFD P00746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
PFKFB2 O60825 1/20 0.39
PFKFB1 P16118 1/20 0.39
PFKFB3 Q16875 1/20 0.39
TSHR P16473 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL844903 0.92 EP300 (0.51) CPT2CPT1AEP300CREBBPMAPT
SCHEMBL873777 0.87 EP300 (0.49) CPT2CPT1AEP300CREBBPPABPC1
SCHEMBL10119687 0.83 CYP2C9 (0.44) EP300CREBBPHDAC8PABPC1ALDH1A1
SCHEMBL844882 0.81 PABPC1 (0.59) CPT2CPT1AEP300CREBBPPABPC1
SCHEMBL845110 0.79 ALDH1A1 (0.48) ALDH1A1LMNAPFKFB2PFKFB1PFKFB3
SCHEMBL871785 0.78 HCRTR1 (0.43) EP300CREBBPPABPC1CFDALDH1A1
SCHEMBL10119326 0.78 EP300 (0.41) EP300CREBBPCFDALDH1A1LMNA
SCHEMBL872886 0.77 KDM4E (0.52) PABPC1ALDH1A1LMNAPFKFB2PFKFB1
SCHEMBL13272439 0.76 HCRTR1 (0.38) HDAC8ALDH1A1PFKFB2PFKFB1PFKFB3
SCHEMBL23373375 0.76 PFKFB3 (0.55) PFKFB2PFKFB1PFKFB3

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-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed