SCHEMBL6832785

SCHEMBL6832785

C#CC(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.45
SLC2A1 P11166 1/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 1/20 0.44
PBRM1 Q86U86 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL5174129 0.92 PBRM1 (0.54) CA1CA2CA7CA9CA12
SCHEMBL7256561 0.87 SLC2A1 (0.66) CA1CA2CA7CA9CA12
SCHEMBL6016443 0.82 CA12 (0.46) CA1CA2CA7CA9CA12
SCHEMBL15906495 0.80 HTR3E (0.47) ALDH1A1MAPK1L3MBTL1
SCHEMBL15906520 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1HTT
SCHEMBL6168264 0.78 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL9834505 0.78 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL15906547 0.78 POLB (0.49) MAPK1GAA
SCHEMBL8376489 0.78 FFAR1 (0.35) ALDH1A1TSHRHTTPBRM1MIF
SCHEMBL6447670 0.77 CA1 (0.50) CA1CA2CA7CA9CA12

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465963-A2 PHOTOCHROMIC POLYMER COMPOSITIONS AND ARTICLES THEREOF TRANSITIONS OPTICAL, INC. (US) 2004-10-13 EP disclosed
WO-2003056390-A2 PHOTOCHROMIC POLYMER COMPOSITIONS AND ARTICLES THEREOF TRANSITIONS OPTICAL, INC. (US) 2003-07-10 WO disclosed
EP-1214311-A1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2002-06-19 EP disclosed
WO-2001019813-A1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-03-22 WO disclosed
EP-0958514-A4 NOVEL PHOTOCHROMIC HETEROCYCLIC FUSED INDENONAPHTHOPYRANS PPG IND OHIO INC (US) 2000-03-22 EP disclosed
EP-0973761-A1 RED COLOURING HYPERCHROMIC 3$i(H)-NAPHTHO 2,1-$i(b)]PYRANS JAMES ROBINSON LIMITED (GB) 2000-01-26 EP disclosed
EP-0958514-A1 NOVEL PHOTOCHROMIC HETEROCYCLIC FUSED INDENONAPHTHOPYRANS PPG Industries Ohio, Inc. (US) 1999-11-24 EP disclosed
WO-1998045281-A1 RED COLOURING HYPERCHROMIC 3H-NAPHTHO[2,1-b]PYRANS JAMES ROBINSON LIMITED (GB) 1998-10-15 WO disclosed
WO-1998032037-A1 NOVEL PHOTOCHROMIC HETEROCYCLIC FUSED INDENONAPHTHOPYRANS PPG INDUSTRIES OHIO, INC. (US) 1998-07-23 WO disclosed
WO-1998014443-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1998-04-09 WO disclosed
WO-1995016215-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1995-06-15 WO disclosed