SCHEMBL4941526

SCHEMBL4941526

O=C(O)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMBR P28336 2/20 0.59
CASP1 P29466 3/20 0.57
CASP3 P42574 2/20 0.57
CASP7 P55210 2/20 0.57
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.55
BMP1 P13497 1/20 0.54
PLG P00747 3/20 0.54
MME P08473 3/20 0.53
ECE1 P42892 2/20 0.53
CA2 P00918 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
TGM2 P21980 1/20 0.52
CASP4 P49662 1/20 0.51
CASP5 P51878 1/20 0.51
CASP9 P55211 1/20 0.51

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
SCHEMBL3072927 0.94 NMBR (0.63) NMBRMAPTGAAHTTLMNA
SCHEMBL27738734 0.94 NMBR (0.63) NMBRMAPTGAAHTTLMNA
SCHEMBL10972700 0.93 NMBR (0.61) NMBRMAPTGAAHTTLMNA
SCHEMBL10968279 0.92 NMBR (0.68) NMBRMAPTGAAHTTLMNA
SCHEMBL3049265 0.91 NMBR (0.57) NMBRCASP1CASP3CASP7MAPT
SCHEMBL3065558 0.91 PLG (0.63) NMBRMAPTGAAHTTLMNA
SCHEMBL7436159 0.91 NMBR (0.62) NMBRMAPTGAAHTTLMNA
SCHEMBL3036857 0.91 NMBR (0.62) NMBRMAPTGAAHTTLMNA
SCHEMBL10899582 0.91 NMBR (0.62) NMBRMAPTGAAHTTLMNA
SCHEMBL7627548 0.89 NMBR (0.55) NMBRCASP1CASP3CASP7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1253915-A1 METHOD FOR TREATING STRESS WITH A PRECURSOR OF SEROTONIN Massachusetts Institute of Technology (US) 2002-11-06 EP claimed
WO-2001054681-A2 COMPOSITION FOR TREATMENT OF STRESS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-08-02 WO claimed
EP-1910322-A2 NOVEL BENZO [D][1,3]-DIOXOL DERIVATIVES Concert Pharmaceuticals Inc. (US) 2008-04-16 EP disclosed
WO-2007016431-A2 NOVEL BENZO [D] [1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2007-02-08 WO disclosed
US-4518587-A NERVOUS SYSTEM DISORDERS S.A. PANMEDICA (FR) 1985-05-21 US disclosed