SCHEMBL1496416

SCHEMBL1496416

CC(C)n1c(=O)[nH]c2cccc(C(=O)O)c21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
PARP1 P09874 1/20 0.43
DAO P14920 2/20 0.43
PGR P06401 7/20 0.40
PBRM1 Q86U86 2/20 0.40
B3GNT2 Q9NY97 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2B6 P20813 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL9273037 0.81 TSHR (0.46) POLBDAOALDH1A1L3MBTL1HSD17B10
SCHEMBL13015570 0.80 DAO (0.46) PARP1DAOPBRM1ALDH1A1NAPRT
SCHEMBL9995469 0.78 DAO (0.60) POLBDAOPGRCYP3A4CYP2B6
SCHEMBL798322 0.76 POLB (0.51) POLBPARP1DAOPGRPBRM1
SCHEMBL20079383 0.73 POLB (0.51) POLBDAOPGRCYP3A4CYP2B6
SCHEMBL13387320 0.72 DAO (0.40) PARP1DAOPBRM1B3GNT2ALDH1A1
SCHEMBL2960319 0.71 KDM4E (0.42) POLBPARP1DAOPBRM1ALDH1A1
SCHEMBL9272114 0.70 POLB (0.48) POLBALDH1A1L3MBTL1
SCHEMBL828232 0.68 POLB (1.00) POLBDAOPGRALDH1A1L3MBTL1
SCHEMBL2969357 0.68 POLB (0.49) POLBDAOPGRB3GNT2CYP3A4

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
EP-2483290-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2012-08-08 EP disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
EP-0591026-A1 Piperidine derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1994-04-06 EP disclosed