SCHEMBL5170764

SCHEMBL5170764

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
POLB P06746 3/20 0.51
KMT2A Q03164 2/20 0.51
RCE1 Q9Y256 1/20 0.45
EZH2 Q15910 4/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5169287 0.81 POLB (0.47) TSHRPOLBKMT2AEZH2HTT
SCHEMBL630660 0.80 TSHR (0.57) TSHRPOLBKMT2ARCE1EZH2
SCHEMBL8738291 0.79 EZH2 (0.69) TSHRPOLBKMT2AEZH2MEN1
SCHEMBL8268040 0.79 TSHR (0.59) TSHRPOLBKMT2ARCE1EZH2
SCHEMBL5173273 0.79 SMN1; SMN2 (0.47) TSHRPOLBKMT2AHTTMEN1
SCHEMBL15613235 0.76 TSHR (0.79) TSHRPOLBKMT2ARCE1EZH2
SCHEMBL5173129 0.74 GLA (0.57) POLBKMT2AMEN1MAPT
SCHEMBL630659 0.70 TSHR (0.43) TSHRPOLBKMT2ARCE1EZH2
SCHEMBL5170755 0.70 TSHR (0.54) TSHRPOLBKMT2ARCE1EZH2
SCHEMBL30335624 0.70 POLB (0.77) TSHRPOLBKMT2AEZH2HTT

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