SCHEMBL6427017

SCHEMBL6427017

CCCOc1ccc(C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
L3MBTL1 Q9Y468 3/20 0.60
PLK1 P53350 1/20 0.60
LMNA P02545 3/20 0.58
MEN1 O00255 1/20 0.58
MAPK1 P28482 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
HPGD P15428 1/20 0.58
HRH2 P25021 1/20 0.54
HRH1 P35367 1/20 0.54
CYP19A1 P11511 1/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51

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
SCHEMBL1814631 0.93 MAPT (0.62) MAPTL3MBTL1LMNAMEN1MAPK1
SCHEMBL6341040 0.93 L3MBTL1 (0.68) MAPTL3MBTL1PLK1LMNAMAPK1
SCHEMBL11578668 0.87 KMT2A (0.67) MAPTL3MBTL1PLK1LMNAMAPK1
SCHEMBL11577173 0.86 MTNR1B (0.61) MAPTL3MBTL1LMNAMEN1MAPK1
SCHEMBL13845292 0.86 LTA4H (0.68) MAPTL3MBTL1PLK1LMNAMAPK1
SCHEMBL10426837 0.86 MAPT (0.62) MAPTL3MBTL1LMNAMEN1MAPK1
SCHEMBL50488 0.86 GAA (0.72) MAPTL3MBTL1PLK1LMNAMEN1
SCHEMBL719973 0.86 GAA (0.72) MAPTL3MBTL1LMNAMEN1MAPK1
SCHEMBL11576081 0.85 KMT2A (0.69) MAPTL3MBTL1PLK1LMNAMEN1
SCHEMBL8769969 0.85 TP53 (0.68) L3MBTL1MEN1KMT2AHPGDGAA

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-0954522-B1 NOVEL SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-10-12 EP disclosed
US-5651923-A PHOTOCHROMIC ARTICLE TRANSITIONS OPTICAL, INC. (US) 1997-07-29 US disclosed