SCHEMBL845503

SCHEMBL845503

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)cc2)cc1)c1ccccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 3/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
APP P05067 5/20 0.47
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL845473 0.91 HSD17B10 (0.47) HSD17B10KDM4ELMNAKDM1ARCOR1
SCHEMBL845353 0.88 KDM4E (0.52) GAAHSD17B10KDM4ELMNAAPP
SCHEMBL845005 0.88 KDM4E (0.54) SGMS2GAAHSD17B10KDM4ELMNA
SCHEMBL13272444 0.86 ALDH1A1 (0.56) HSD17B10KDM4ELMNAKDM1ARCOR1
SCHEMBL845111 0.86 ALDH1A1 (0.56) HSD17B10KDM4ELMNAKDM1ARCOR1
SCHEMBL1030175 0.86 ALDH1A1 (0.56) HSD17B10KDM4ELMNAKDM1ARCOR1
SCHEMBL15116912 0.86 ALDH1A1 (0.56) HSD17B10KDM4ELMNAKDM1ARCOR1
SCHEMBL845205 0.86 ALDH1A1 (0.56) HSD17B10KDM4ELMNAKDM1ARCOR1
SCHEMBL845226 0.86 ALDH1A1 (0.56) HSD17B10KDM4ELMNAKDM1ARCOR1
SCHEMBL845484 0.85 ALDH1A1 (0.48) HSD17B10KDM4ELMNAALDH1A1MEN1

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