SCHEMBL874449

SCHEMBL874449

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3)cc2)cc1)[C@@H]1C[C@@H](O)CN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CYP2D6 P10635 3/20 0.39
S1PR1 P21453 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
CTSC P53634 1/20 0.36
DPP4 P27487 1/20 0.36
PAX8 Q06710 2/20 0.35
ACE P12821 1/20 0.35
VHL P40337 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 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
SCHEMBL846148 0.91 POLB (0.51) POLBKMT2AMEN1CTSSCTSK
SCHEMBL845777 0.83 POLB (0.44) POLBKMT2AMEN1CTSSCTSK
SCHEMBL845151 0.79 ALDH1A1 (0.48) POLBKMT2AMEN1CYP2C9VHL
SCHEMBL845429 0.77 CTSS (0.44) POLBKMT2AMEN1CTSSCTSK
SCHEMBL13272451 0.76 POLB (0.41) POLBKMT2AMEN1CTSSCTSK
SCHEMBL12489978 0.76 POLB (0.47) POLBKMT2AMEN1CTSSCTSK
SCHEMBL845523 0.76 POLB (0.59) POLBKMT2AMEN1CTSKCYP3A4
SCHEMBL844848 0.76 POLB (0.72) POLBKMT2AMEN1LMNANPSR1
SCHEMBL845132 0.76 POLB (0.72) POLBKMT2AMEN1LMNANPSR1
SCHEMBL845357 0.76 POLB (0.72) POLBKMT2AMEN1LMNANPSR1

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