SCHEMBL2777020

SCHEMBL2777020

CCCNN[C@@H](Cc1ccccc1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
MMP8 P22894 1/20 0.52
ELANE P08246 1/20 0.48
HPRT1 P00492 1/20 0.48
TP53 P04637 2/20 0.47
TACR1 P25103 1/20 0.46
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.44
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43

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
SCHEMBL19223394 0.85 POLB (0.57) POLBMMP8ELANEHPRT1TP53
SCHEMBL2778934 0.85 POLB (0.52) POLBL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL2778931 0.85 POLB (0.52) POLBL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL2779606 0.82 MMP8 (0.55) POLBMMP8ELANEHPRT1TP53
SCHEMBL27464748 0.80 MMP8 (0.59) POLBMMP8ELANEHPRT1TP53
SCHEMBL15343891 0.80 MMP8 (0.59) POLBMMP8ELANEHPRT1TP53
SCHEMBL8966036 0.80 MMP8 (0.59) POLBMMP8ELANEHPRT1TP53
SCHEMBL4765072 0.80 MMP8 (0.59) POLBMMP8ELANEHPRT1TP53
SCHEMBL6322057 0.80 MMP8 (0.59) POLBMMP8ELANEHPRT1TP53
SCHEMBL8897188 0.80 MMP8 (0.52) POLBMMP8ELANEHPRT1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770132-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS Aventis Pharma S.A. (FR) 1997-05-02 EP claimed
WO-1996001901-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS RHONE-POULENC RORER S.A. (FR) 1996-01-25 WO claimed
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