SCHEMBL2171698

SCHEMBL2171698

O=C(NCOC(=O)C1CC1)NCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.69
LMNA P02545 2/20 0.69
PKM P14618 1/20 0.69
HPGD P15428 3/20 0.51
EPHX1 P07099 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PPID Q08752 1/20 0.50
BCHE P06276 1/20 0.50
P2RX7 Q99572 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX2 P34913 3/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
DRD4 P21917 1/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL4653452 0.77 L3MBTL1 (0.49) L3MBTL1LMNAPKMHPGD
SCHEMBL18364892 0.77 MAPT (0.57) L3MBTL1LMNAEPHX1ALDH1A1PPID
SCHEMBL714625 0.77 EPHX1 (0.77) LMNAHPGDEPHX1ALDH1A1PPID
SCHEMBL14451342 0.75 ALDH1A1 (0.69) L3MBTL1LMNAPKMHPGDUSP2
SCHEMBL5519093 0.75 ALDH1A1 (0.69) L3MBTL1LMNAPKMHPGDUSP2
SCHEMBL6666657 0.74 FABP7 (0.58) L3MBTL1LMNAPKMHPGDALDH1A1
SCHEMBL10917021 0.74 FABP7 (0.58) L3MBTL1LMNAPKMHPGDALDH1A1
SCHEMBL280126 0.74 FABP7 (0.58) L3MBTL1LMNAPKMHPGDALDH1A1
SCHEMBL2469546 0.74 ALDH1A1 (0.86) HPGDUSP2ALDH1A1MAPTMAPK1
SCHEMBL29675228 0.74 ALDH1A1 (0.86) HPGDUSP2ALDH1A1MAPTMAPK1

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-2346871-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER PRISM BioLab Corporation (JP) 2011-07-27 EP disclosed
WO-2010044485-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER PRISM BIOLAB CORPORATION (JP) 2010-04-22 WO disclosed