SCHEMBL7769844

SCHEMBL7769844

C=CCCCNc1ccc(COC(=O)CC(=O)ONC(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
LMNA P02545 3/20 0.31
TGM2 P21980 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PRSS1 P07477 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAOA P21397 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL2778041 0.86 CA1 (0.40) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL2780858 0.75 ALDH1A1 (0.38) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL7769841 0.75 CNR2 (0.38) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL27630941 0.75 TPSAB1 (0.44) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL2781111 0.75 PPIB (0.40) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL27611924 0.75 KDM4E (0.39) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL27611950 0.73 MEN1 (0.42) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL11742439 0.71 LMNA (0.47) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL27611926 0.70 TSHR (0.43) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6776900 0.69 SLC7A5 (0.49) MAPTMEN1KMT2AKDM4EALDH1A1

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
EP-0773956-B1 PURIFIED FORM OF STREPTOGRAMINES, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2001-07-04 EP disclosed
EP-0773956-A1 PURIFIED FORM OF STREPTOGRAMINES, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-05-21 EP disclosed
WO-1996004298-A1 PURIFIED FORM OF STREPTOGRAMINES, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1996-02-15 WO disclosed