SCHEMBL8552625

SCHEMBL8552625

CC(C)(C)OC(=O)CO[C@H]1CC[C@H](NC(=O)c2cnc(C3CCN(C(=O)OCc4ccccc4)CC3)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 3/20 0.44
MAPT P10636 4/20 0.43
MAPK1 P28482 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
NTSR1 P30989 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 2/20 0.41
HTT P42858 1/20 0.41
ENPP2 Q13822 2/20 0.41
GPR55 Q9Y2T6 1/20 0.40
GRIN2B Q13224 1/20 0.39

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
SCHEMBL8553852 0.80 HTT (0.45) LMNATHRBMAPK1MEN1KMT2A
SCHEMBL4121758 0.79 SMN1; SMN2 (0.57) NPSR1MEN1KMT2AHTTGRIN2B
SCHEMBL8993974 0.77 SMN1; SMN2 (0.54) NPSR1MEN1KMT2AHTTGRIN2B
SCHEMBL8553111 0.77 SMN1; SMN2 (0.56) NPSR1MEN1KMT2AHTTGRIN2B
SCHEMBL8626081 0.76 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1HTTGRIN2B
SCHEMBL8551784 0.74 HTT (0.46) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL1206740 0.74 SMN1; SMN2 (0.51) NPSR1MEN1KMT2AHTTGRIN2B
SCHEMBL29060008 0.74 SMN1; SMN2 (0.52) NPSR1MEN1KMT2AHTTGRIN2B
SCHEMBL29060009 0.74 SMN1; SMN2 (0.52) NPSR1MEN1KMT2AHTTGRIN2B
SCHEMBL18551726 0.74 SMN1; SMN2 (0.52) NPSR1MEN1KMT2AHTTGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed