SCHEMBL844848

SCHEMBL844848

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)cc2)cc1)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.72
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM1A O60341 2/20 0.52
RCOR1 Q9UKL0 1/20 0.52
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 1/20 0.50
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
F10 P00742 2/20 0.45
ENPP2 Q13822 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
GFER P55789 1/20 0.41

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
SCHEMBL845357 1.00 POLB (0.72) POLBMEN1KMT2AKDM1ARCOR1
SCHEMBL845132 1.00 POLB (0.72) POLBMEN1KMT2AKDM1ARCOR1
SCHEMBL845133 0.91 POLB (0.62) POLBMEN1KMT2AKDM1ARCOR1
SCHEMBL845523 0.89 POLB (0.59) POLBMEN1KMT2AKDM1ARCOR1
SCHEMBL4386483 0.88 POLB (0.73) POLBMEN1KMT2AKDM1ARCOR1
SCHEMBL4383169 0.88 POLB (0.76) POLBMEN1KMT2AKDM1ARCOR1
SCHEMBL12230365 0.88 POLB (0.80) POLBMEN1KMT2AKDM1ARCOR1
SCHEMBL845654 0.87 POLB (0.59) POLBMEN1KMT2AKDM1ARCOR1
SCHEMBL845136 0.87 POLB (0.59) POLBMEN1KMT2AKDM1ARCOR1
SCHEMBL845689 0.87 POLB (0.58) POLBMEN1KMT2AKDM1ARCOR1

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