SCHEMBL14745772

SCHEMBL14745772

CCc1cc(C(=O)OC(=O)c2c(O)c(CC)c(-c3ccccc3N(C)C)[nH]c2=O)c(=O)[nH]c1-c1ccc(N(C)C)cc1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
ALDH1A1 P00352 2/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL14745059 0.91 ALOX5 (0.30) PDE3BPDE3AALOX5
SCHEMBL14745770 0.89 PDE3B (0.31) PDE3BPDE3A
SCHEMBL14745054 0.80
SCHEMBL14741084 0.77 ALDH1A1 (0.33) PDE3BPDE3AALDH1A1HSD17B10KDM4E
SCHEMBL17594967 0.76 ALDH1A1 (0.37) PDE3BPDE3AALDH1A1KDM4EMEN1
SCHEMBL14741160 0.73 KDM4E (0.41) PDE3BPDE3AALDH1A1HSD17B10KDM4E
SCHEMBL14741182 0.73 KDM4E (0.34) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL17597373 0.73 GSK3B (0.39) KDM4E
SCHEMBL17595256 0.73 PDE3B (0.35) PDE3BPDE3AALDH1A1HSD17B10KDM4E
SCHEMBL14740869 0.71 PDE3B (0.38) PDE3BPDE3AALDH1A1HSD17B10KDM4E

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
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed