SCHEMBL9543527

SCHEMBL9543527

CC(C)(C)OC(=O)N1[C@@H](C(=O)C2Cc3c(ccc4ccccc34)CN2C(=O)O)CC[C@H]1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCB1 P08183 1/20 0.36
UCHL1 P09936 1/20 0.35
RIPK1 Q13546 2/20 0.34
FFAR2 O15552 1/20 0.34
CNR1 P21554 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL9543419 0.88 HDAC8 (0.35) HDAC8MEN1KMT2AUCHL1FFAR2
SCHEMBL9542843 0.88 ABCB1 (0.37) HDAC8MEN1KMT2AABCB1UCHL1
SCHEMBL9543806 0.82 HDAC8 (0.40) HDAC8MEN1KMT2AUCHL1PTPN1
SCHEMBL9544061 0.77 HDAC8 (0.33) HDAC8UCHL1
SCHEMBL475745 0.76 FFAR2 (0.51) ABCB1RIPK1FFAR2
SCHEMBL859599 0.76 FFAR2 (0.51) ABCB1RIPK1FFAR2
SCHEMBL6183606 0.76 FFAR2 (0.51) ABCB1RIPK1FFAR2
SCHEMBL2896922 0.76 FFAR2 (0.51) ABCB1RIPK1FFAR2
SCHEMBL5156869 0.76 FFAR2 (0.51) ABCB1RIPK1FFAR2
SCHEMBL29040317 0.76 FFAR2 (0.51) ABCB1RIPK1FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed