SCHEMBL13435790

SCHEMBL13435790

COP(=O)(OC)[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.57
ELANE P08246 2/20 0.56
ATM Q13315 2/20 0.51
KLK1 P06870 1/20 0.51
CTRB1 P17538 2/20 0.50
PRTN3 P24158 1/20 0.50
ACE2 Q9BYF1 1/20 0.49
TP53 P04637 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48

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
SCHEMBL535707 1.00 KYNU (0.57) KYNUELANEATMKLK1CTRB1
SCHEMBL1110994 0.99 KYNU (0.56) KYNUELANEATMKLK1CTRB1
SCHEMBL269404 0.93 KYNU (0.62) KYNUELANEATMKLK1CTRB1
SCHEMBL187849 0.93 KYNU (0.62) KYNUELANEATMKLK1CTRB1
SCHEMBL29678939 0.93 KYNU (0.62) KYNUELANEATMKLK1CTRB1
SCHEMBL19410220 0.92 KYNU (0.57) KYNUELANEATMKLK1CTRB1
SCHEMBL13798138 0.90 KYNU (0.56) KYNUELANEATMKLK1CTRB1
Lithium Ion SCHEMBL1110992 0.89 KYNU (0.55) KYNUELANEATMKLK1CTRB1
SCHEMBL15549899 0.86 ELANE (0.54) KYNUELANEATMKLK1CTRB1
SCHEMBL13798136 0.86 KYNU (0.52) KYNUELANEATMKLK1CTRB1

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
EP-2177523-A1 Novel macrocyclic inhibitors of hepatitis c virus replication Intermune, Inc. (US) 2010-04-21 EP disclosed