SCHEMBL846148

SCHEMBL846148

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)CN1C(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
CYP2D6 P10635 3/20 0.42
S1PR1 P21453 3/20 0.42
CYP3A4 P08684 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
ACE P12821 1/20 0.40
CYP2C9 P11712 2/20 0.40
VHL P40337 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
PAX8 Q06710 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GPR183 P32249 2/20 0.38

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
SCHEMBL845777 0.91 POLB (0.44) POLBKMT2AMEN1CTSSCTSK
SCHEMBL874449 0.91 POLB (0.44) POLBKMT2AMEN1CTSSCTSK
SCHEMBL845151 0.87 ALDH1A1 (0.48) POLBKMT2AMEN1CYP2C9VHL
SCHEMBL845429 0.85 CTSS (0.44) POLBKMT2AMEN1CTSSCTSK
SCHEMBL13272451 0.84 POLB (0.41) POLBKMT2AMEN1CTSSCTSK
SCHEMBL845523 0.84 POLB (0.59) POLBKMT2AMEN1CTSKCYP3A4
SCHEMBL845132 0.84 POLB (0.72) POLBKMT2AMEN1LMNANPSR1
SCHEMBL844848 0.84 POLB (0.72) POLBKMT2AMEN1LMNANPSR1
SCHEMBL845357 0.84 POLB (0.72) POLBKMT2AMEN1LMNANPSR1
SCHEMBL845778 0.83 CTSS (0.43) POLBKMT2AMEN1CTSSCTSK

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