SCHEMBL7898517

SCHEMBL7898517

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PADI1 Q9ULC6 1/20 0.45
PADI4 Q9UM07 1/20 0.45
CASP3 P42574 3/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 3/20 0.44
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
PKLR P30613 1/20 0.42
EPHX1 P07099 1/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
F2R P25116 1/20 0.40

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
SCHEMBL23967395 1.00 MME (0.46) MMESMN1; SMN2PADI1PADI4CASP3
SCHEMBL28910144 0.98 MME (0.45) MMESMN1; SMN2PADI1PADI4CASP3
SCHEMBL25206156 0.91 LMNA (0.47) MMECASP3LMNACA2CA4
SCHEMBL25206154 0.91 LMNA (0.47) MMECASP3LMNACA2CA4
SCHEMBL5209318 0.86 SMN1; SMN2 (0.47) SMN1; SMN2PADI1PADI4CASP3HDAC8
SCHEMBL1075861 0.86 ECE1 (0.42) SMN1; SMN2PADI1PADI4HDAC8HDAC6
SCHEMBL5322759 0.86 ECE1 (0.42) SMN1; SMN2PADI1PADI4HDAC8HDAC6
SCHEMBL2797000 0.84 HDAC8 (0.45) PADI1PADI4HDAC8HDAC6LMNA
SCHEMBL2794690 0.84 HDAC8 (0.45) PADI1PADI4HDAC8HDAC6LMNA
SCHEMBL2795524 0.84 HDAC8 (0.45) PADI1PADI4HDAC8HDAC6LMNA

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