SCHEMBL2778041

SCHEMBL2778041

C=CCNc1ccc(COC(=O)CC(=O)ONC(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TGM2 P21980 2/20 0.34
F13A1 P00488 1/20 0.34
TGM1 P22735 1/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL7769844 0.86 MAPT (0.34) CA1CA2MAPTMEN1KMT2A
SCHEMBL2780858 0.81 ALDH1A1 (0.38) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL7769841 0.81 CNR2 (0.38) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL27611924 0.78 KDM4E (0.39) CA1CA2MAPTMEN1KMT2A
SCHEMBL27630941 0.78 TPSAB1 (0.44) CA1CA2MAPTMEN1KMT2A
SCHEMBL2781111 0.78 PPIB (0.40) CA1CA2MAPTMEN1KMT2A
SCHEMBL27611950 0.77 MEN1 (0.42) CA1CA2MAPTMEN1KMT2A
SCHEMBL7766414 0.74 ESRRG (0.45) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL11302724 0.74 CYP4F2 (0.51) CA1CA2CA12CA9MAPT
SCHEMBL27611926 0.74 TSHR (0.43) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A

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