SCHEMBL845165

SCHEMBL845165

CC(C)(C)O[C@@H]1C[C@@H](C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccccc4)cc3)cc2)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
KDM1A O60341 1/20 0.53
RCOR1 Q9UKL0 1/20 0.53
HSD17B10 Q99714 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47
GFER P55789 1/20 0.46
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.45
CTRB1 P17538 1/20 0.42
NPC1 O15118 1/20 0.42
PABPC1 P11940 1/20 0.41
CTSK P43235 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
SCHEMBL845491 0.91 POLB (0.55) KDM4ELMNAKDM1ARCOR1HSD17B10
SCHEMBL845523 0.88 POLB (0.59) KDM4ELMNAKDM1ARCOR1HSD17B10
SCHEMBL845118 0.88 POLB (0.51) KDM4ELMNAKDM1ARCOR1HSD17B10
SCHEMBL845778 0.86 CTSS (0.43) KDM4ELMNANPSR1ALDH1A1POLB
SCHEMBL845768 0.86 POLB (0.49) KDM4ELMNAKDM1ARCOR1HSD17B10
SCHEMBL873225 0.84 POLB (0.54) KDM4ELMNAKDM1ARCOR1HSD17B10
SCHEMBL844832 0.83 KDM4E (0.73) KDM4ELMNAKDM1ARCOR1HSD17B10
SCHEMBL845252 0.83 KDM4E (0.73) KDM4ELMNAKDM1ARCOR1HSD17B10
SCHEMBL13272502 0.82 ALDH1A1 (0.47) KDM4ELMNAKDM1ARCOR1HSD17B10
SCHEMBL845205 0.82 ALDH1A1 (0.56) KDM4ELMNAKDM1ARCOR1HSD17B10

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 3 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
EP-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed