SCHEMBL7769841

SCHEMBL7769841

C=CCN(CC)c1ccc(COC(=O)CC(=O)ONC(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 7/20 0.36
TSHR P16473 3/20 0.36
AOC3 Q16853 2/20 0.36
NOX1 Q9Y5S8 2/20 0.34
MAPT P10636 6/20 0.34
GAA P10253 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
POLB P06746 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ESRRG P62508 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
ESRRB O95718 1/20 0.33

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
SCHEMBL2780858 0.94 ALDH1A1 (0.38) CNR2CNR1ALDH1A1TSHRMAPT
SCHEMBL7766414 0.85 ESRRG (0.45) CNR2ALDH1A1TSHRAOC3NOX1
SCHEMBL2778041 0.81 CA1 (0.40) ALDH1A1MAPTKDM4EHPGDPOLB
SCHEMBL7769844 0.75 MAPT (0.34) CNR1ALDH1A1MAPTKDM4EMEN1
SCHEMBL27611924 0.75 KDM4E (0.39) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL27630941 0.75 TPSAB1 (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2781111 0.75 PPIB (0.40) ALDH1A1TSHRMAPTGAAKDM4E
SCHEMBL27611950 0.73 MEN1 (0.42) ALDH1A1TSHRMAPTGAAKDM4E
SCHEMBL27611926 0.70 TSHR (0.43) ALDH1A1TSHRGAANPC1SMN1; SMN2
SCHEMBL7720045 0.70 ALDH1A1 (0.59) CNR2CNR1ALDH1A1TSHRAOC3

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