SCHEMBL5169340

SCHEMBL5169340

COc1ccc([C@@H](C(N)=O)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.60
KDM4E B2RXH2 1/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 5/20 0.54
BLM P54132 1/20 0.54
LMNA P02545 1/20 0.52
RAB9A P51151 3/20 0.52
PKM P14618 1/20 0.52
NPC1 O15118 1/20 0.52
HTT P42858 1/20 0.52
AKR1C3 P42330 1/20 0.51
NR4A1 P22736 1/20 0.51
MCL1 Q07820 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CSF1R P07333 1/20 0.50

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
SCHEMBL5172899 0.86 ALDH1A1 (0.57) MAPTKDM4EALDH1A1LMNARAB9A
SCHEMBL5172311 0.85 MAPT (0.66) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL5171022 0.82 MAPT (0.58) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5171459 0.81 MAPT (0.51) MAPTKDM4EALDH1A1LMNARAB9A
SCHEMBL630624 0.80 MAPT (0.65) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL6152116 0.76 KMT2A (0.74) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5171421 0.76 MAPT (0.63) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL19392315 0.75 MAPT (0.77) MAPTKDM4EALDH1A1LMNARAB9A
SCHEMBL3568215 0.74 KMT2A (1.00) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL2208450 0.74 AKR1C3 (0.68) MAPTKDM4EKMT2AMEN1ALDH1A1

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