SCHEMBL7898545

SCHEMBL7898545

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C1CCCCC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
PSMB5 P28074 6/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TSHR P16473 2/20 0.51
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MAPT P10636 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
SCHEMBL6562866 0.99 SMN1; SMN2 (0.53) SMN1; SMN2GAAALOX15PSMB5MAPK1
SCHEMBL6562939 0.94 ALDH1A1 (0.54) SMN1; SMN2GAAALOX15PSMB5MAPK1
SCHEMBL8581694 0.94 ALDH1A1 (0.54) SMN1; SMN2GAAALOX15PSMB5MAPK1
SCHEMBL9829273 0.94 ALDH1A1 (0.54) SMN1; SMN2GAAALOX15PSMB5MAPK1
SCHEMBL7896986 0.94 ALDH1A1 (0.54) SMN1; SMN2GAAALOX15PSMB5MAPK1
SCHEMBL6561332 0.92 TSHR (0.53) SMN1; SMN2GAAALOX15PSMB5MAPK1
SCHEMBL9832137 0.92 ALDH1A1 (0.56) SMN1; SMN2GAAALOX15PSMB5MAPK1
SCHEMBL7897832 0.92 ALDH1A1 (0.56) SMN1; SMN2GAAALOX15PSMB5MAPK1
Benzene SCHEMBL28226142 0.91 PSMB5 (0.55) SMN1; SMN2GAAALOX15PSMB5MAPK1
SCHEMBL25045739 0.89 KMT2A (0.56) SMN1; SMN2GAAALOX15PSMB5MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180140-B1 SUITABLE FOR ORAL ADMINISTRATION OF BIOLOGICALLY ACTIVE AGENTS TO ANIMALS EMISPHERE TECHNOLOGIES, INC. 2001-01-30 US disclosed
US-5935601-A Modified amino acids for drug delivery EMISPHERE TECHNOLOGIES, INC. (US) 1999-08-10 US disclosed
EP-0812212-A4 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS EMISPHERE TECH INC (US) 1999-04-14 EP disclosed
EP-0758843-A4 MODIFIED AMINO ACIDS FOR DRUG DELIVERY EMISPHERE TECH INC (US) 1998-05-20 EP disclosed
US-5709861-A PEPTIDES WITH ANTIGENS AND PROCESS FOR MIXING EMISPHERE TECHNOLOGIES, INC. (US) 1998-01-20 US disclosed
EP-0812212-A1 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS Emisphere Technologies, Inc. (US) 1997-12-17 EP disclosed
US-5629020-A Modified amino acids for drug delivery EMISPHERE TECHNOLOGIES, INC. (US) 1997-05-13 US disclosed
EP-0758843-A1 MODIFIED AMINO ACIDS FOR DRUG DELIVERY Emisphere Technologies, Inc. (US) 1997-02-26 EP disclosed
WO-1996021464-A9 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS 1996-11-14 WO disclosed
WO-1996021464-A1 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS EMISPHERE TECHNOLOGIES, INC. (US) 1996-07-18 WO disclosed
WO-1995028838-A1 MODIFIED AMINO ACIDS FOR DRUG DELIVERY EMISPHERE TECHNOLOGIES, INC. (US) 1995-11-02 WO disclosed