SCHEMBL2781111

SCHEMBL2781111

CC(=O)NOC(=O)CC(=O)OCc1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIB P23284 1/20 0.40
PPIA P62937 1/20 0.40
PPID Q08752 1/20 0.40
PPIG Q13427 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
DHFR P00374 1/20 0.36
TSHR P16473 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
SCHEMBL27611924 0.88 KDM4E (0.39) ALDH1A1MAPK1L3MBTL1MEN1MAPT
SCHEMBL27630941 0.88 TPSAB1 (0.44) ALDH1A1MAPK1L3MBTL1MEN1MAPT
SCHEMBL6453211 0.87 ALDH1A1 (0.47) PPIBPPIAPPIDPPIGALDH1A1
SCHEMBL27611950 0.86 MEN1 (0.42) ALDH1A1MAPK1L3MBTL1MEN1MAPT
SCHEMBL11736357 0.83 PPIB (0.44) PPIBPPIAPPIDPPIGALDH1A1
SCHEMBL2780510 0.82 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1KDM4ECYP1A2
SCHEMBL27611926 0.82 TSHR (0.43) ALDH1A1L3MBTL1TSHRSMN1; SMN2TDP1
SCHEMBL19439087 0.82 PPID (0.57) PPIBPPIAPPIDPPIGALDH1A1
SCHEMBL8526941 0.81 PPID (0.39) PPIBPPIAPPIDPPIGALDH1A1
SCHEMBL2778041 0.78 CA1 (0.40) ALDH1A1MAPK1L3MBTL1MEN1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2248901-A1 Streptogramines and method for preparing same by mutasynthesis Aventis Pharma S.A. (FR) 2010-11-10 EP disclosed
EP-0770132-B1 NEW STREPTOGRAMINES AVENTIS PHARMA SA (FR) 2010-09-08 EP disclosed
EP-0770132-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS Aventis Pharma S.A. (FR) 1997-05-02 EP disclosed
WO-1996001901-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS RHONE-POULENC RORER S.A. (FR) 1996-01-25 WO disclosed