SCHEMBL14745499

SCHEMBL14745499

CCc1cc(C(=O)Oc2c(CC)c(-c3ccc(Cl)cc3)[nH]c(=O)c2C(=O)O)c(=O)[nH]c1-c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.43
PDE3A Q14432 4/20 0.43
ALOX5 P09917 2/20 0.34
GCGR P47871 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
CSF1R P07333 1/20 0.32
PTGES O14684 1/20 0.32
TSPO P30536 1/20 0.32
DHODH Q02127 1/20 0.32
PRNP P04156 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARG P37231 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL14745816 0.92 PDE3B (0.43) PDE3BPDE3APRNPCYP1A2CYP2C9
SCHEMBL14745498 0.84 PDE3B (0.41) PDE3BPDE3AALOX5TSPODHODH
SCHEMBL14745239 0.83 PDE3B (0.43) PDE3BPDE3AMDM2DHODHRXFP1
SCHEMBL14745820 0.81 SMN1; SMN2 (0.38) PDE3BPDE3ATP53RXFP1
SCHEMBL14740827 0.76 MAPK14 (0.46) PDE3BPDE3AGCGR
SCHEMBL14741243 0.76 PDE3B (0.50) PDE3BPDE3APRNPCYP1A2CYP2C9
SCHEMBL14741070 0.75 PDE3B (0.50) PDE3BPDE3ATP53PARP1PARP3
SCHEMBL14745815 0.75 PDE3B (0.41) PDE3BPDE3APRNPCYP1A2CYP2C9
SCHEMBL14745764 0.73 SERPINE1 (0.31) PPARG
SCHEMBL14745775 0.72 CDC7 (0.31) PDE3BPDE3A

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
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed