SCHEMBL845523

SCHEMBL845523

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)cc2)cc1)[C@@H]1CCCN1C(=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
KDM1A O60341 1/20 0.57
RCOR1 Q9UKL0 1/20 0.57
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 3/20 0.53
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
GFER P55789 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 1/20 0.46
CTRB1 P17538 1/20 0.45
CTSL P07711 1/20 0.43
CTSK P43235 1/20 0.43
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL844848 0.89 POLB (0.72) POLBKDM1ARCOR1KDM4ELMNA
SCHEMBL845357 0.89 POLB (0.72) POLBKDM1ARCOR1KDM4ELMNA
SCHEMBL845132 0.89 POLB (0.72) POLBKDM1ARCOR1KDM4ELMNA
SCHEMBL845165 0.88 KDM4E (0.55) POLBKDM1ARCOR1KDM4ELMNA
SCHEMBL845151 0.88 ALDH1A1 (0.48) POLBKDM1ARCOR1KDM4ELMNA
SCHEMBL845252 0.86 KDM4E (0.73) KDM1ARCOR1KDM4ELMNAHSD17B10
SCHEMBL844832 0.86 KDM4E (0.73) KDM1ARCOR1KDM4ELMNAHSD17B10
SCHEMBL845226 0.85 ALDH1A1 (0.56) KDM1ARCOR1KDM4ELMNAHSD17B10
SCHEMBL15116912 0.85 ALDH1A1 (0.56) KDM1ARCOR1KDM4ELMNAHSD17B10
SCHEMBL845111 0.85 ALDH1A1 (0.56) KDM1ARCOR1KDM4ELMNAHSD17B10

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