SCHEMBL5170201

SCHEMBL5170201

OC#CC(c1ccc(OCCO)cc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
FKBP1A P62942 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM1A O60341 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HRH2 P25021 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
SCHEMBL4857099 0.84 MAPT (0.52) MAPTSMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL1819239 0.81 MAPT (0.41) MAPTSMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL7772156 0.79 LMNA (0.51) MAPTSMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL4857289 0.76 GAA (0.57) MAPTSMN1; SMN2MAPK1L3MBTL1KDM4E
SCHEMBL15906526 0.74 MAPT (0.48) MAPTSMN1; SMN2MAPK1L3MBTL1NPC1
SCHEMBL1813801 0.73 ALDH1A1 (0.42) MAPTSMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL24605276 0.72 MAPT (0.43) MAPTSMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL15906559 0.71 MAPT (0.47) MAPTSMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL25091076 0.70 MAPT (0.41) MAPTSMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL24403964 0.70 MAPT (0.42) MAPTSMN1; SMN2MAPK1L3MBTL1MEN1

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-1776436-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2007-04-25 EP disclosed
WO-2006022825-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2006-03-02 WO disclosed