SCHEMBL5170755

SCHEMBL5170755

C[C@H](Oc1ccc(C[CH]C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
POLB P06746 3/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
RCE1 Q9Y256 1/20 0.44
EZH2 Q15910 5/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.40
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL630659 0.85 TSHR (0.43) TSHRPOLBMEN1MAPTRECQL
SCHEMBL5173124 0.77 ALDH1A1 (0.38) POLBPKMGAA
SCHEMBL631683 0.75 MEN1 (0.45) TSHRPOLBMEN1MAPTRECQL
SCHEMBL6166781 0.74 GAA (0.48) TSHRPOLBMEN1MAPTRECQL
SCHEMBL15613235 0.72 TSHR (0.79) TSHRPOLBMEN1MAPTRECQL
SCHEMBL630660 0.71 TSHR (0.57) TSHRPOLBMEN1MAPTRECQL
SCHEMBL8268040 0.70 TSHR (0.59) TSHRPOLBMEN1MAPTRECQL
SCHEMBL5170764 0.70 TSHR (0.59) TSHRPOLBMEN1MAPTRECQL
SCHEMBL8738291 0.68 EZH2 (0.69) TSHRPOLBMEN1KMT2AEZH2
SCHEMBL630790 0.67 GLA (0.53) POLBMAPTKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO claimed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO disclosed