SCHEMBL7898085

SCHEMBL7898085

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 2/20 0.51
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.49
CYP3A4 P08684 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL7890180 0.93 SMN1; SMN2 (0.57) TSHRMAPK1SMN1; SMN2ALDH1A1TP53
SCHEMBL9829571 0.93 SMN1; SMN2 (0.57) TSHRMAPK1SMN1; SMN2ALDH1A1TP53
SCHEMBL7899963 0.92 SMN1; SMN2 (0.59) TSHRMAPK1SMN1; SMN2ALDH1A1TP53
SCHEMBL9831322 0.92 SMN1; SMN2 (0.59) TSHRMAPK1SMN1; SMN2ALDH1A1TP53
SCHEMBL9831734 0.89 SMN1; SMN2 (0.50) TSHRMAPK1SMN1; SMN2ALDH1A1TP53
SCHEMBL9830268 0.89 TSHR (0.54) TSHRMAPK1SMN1; SMN2ALDH1A1TP53
SCHEMBL9831740 0.89 SMN1; SMN2 (0.50) TSHRMAPK1SMN1; SMN2ALDH1A1TP53
SCHEMBL9830280 0.89 TSHR (0.54) TSHRMAPK1SMN1; SMN2ALDH1A1TP53
SCHEMBL23441779 0.88 TP53 (0.57) TSHRMAPK1SMN1; SMN2ALDH1A1TP53
SCHEMBL9828504 0.87 TSHR (0.52) TSHRMAPK1SMN1; SMN2ALDH1A1TP53

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 6 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-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-0758843-A1 MODIFIED AMINO ACIDS FOR DRUG DELIVERY Emisphere Technologies, Inc. (US) 1997-02-26 EP disclosed
WO-1995028838-A1 MODIFIED AMINO ACIDS FOR DRUG DELIVERY EMISPHERE TECHNOLOGIES, INC. (US) 1995-11-02 WO disclosed