SCHEMBL2173674

SCHEMBL2173674

C=CCN(NC(C)(C)C(=O)OCC)C(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
PPID Q08752 1/20 0.45
LMNA P02545 2/20 0.43
MMP8 P22894 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RIPK1 Q13546 1/20 0.40
ALDH1A1 P00352 4/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NAMPT P43490 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
CYP2C9 P11712 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL2171968 0.86 RIPK1 (0.43) LMNAMMP8SMN1; SMN2RIPK1ALDH1A1
SCHEMBL3224087 0.80 PPID (0.56) MAPTPPIDLMNASMN1; SMN2ALDH1A1
SCHEMBL2173670 0.76 PPID (0.51) MAPTPPIDLMNAMMP8SMN1; SMN2
SCHEMBL17541033 0.72 MMP8 (0.56) MAPTPPIDLMNAMMP8SMN1; SMN2
SCHEMBL1557963 0.72 ALDH1A1 (0.44) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL13430501 0.72 PPID (0.46) MAPTPPIDLMNASMN1; SMN2RIPK1
SCHEMBL7440971 0.70 SMN1; SMN2 (0.56) MAPTPPIDLMNAMMP8SMN1; SMN2
SCHEMBL2171018 0.70 PPID (0.66) MAPTPPIDLMNAMMP8SMN1; SMN2
SCHEMBL11501252 0.69 NPC1 (0.41) MAPTPPIDLMNASMN1; SMN2RIPK1
SCHEMBL3232967 0.69 ALDH1A1 (0.49) LMNASMN1; SMN2ALDH1A1MEN1KMT2A

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