SCHEMBL2928281

SCHEMBL2928281

CC(C)(C)CC(C)(C)c1ccc(O)c(Sc2cc(C(C)(C)CC(C)(C)C)ccc2O)c1.CC(C)(C)CC(C)(C)c1ccc(O)c(Sc2cc(C(C)(C)CC(C)(C)C)ccc2O)c1.[Ni]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.52
CYP3A4 P08684 5/20 0.51
HIF1A Q16665 3/20 0.51
CYP2D6 P10635 2/20 0.51
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ESR1 P03372 5/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
AR P10275 3/20 0.47
USP2 O75604 1/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DRD1 P21728 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL8856126 1.00 SHBG (0.52) SHBGCYP3A4HIF1ACYP2D6MEN1
SCHEMBL30899191 1.00 SHBG (0.52) SHBGCYP3A4HIF1ACYP2D6MEN1
SCHEMBL11470454 0.98 CYP3A4 (0.50) SHBGCYP3A4HIF1ACYP2D6MEN1
SCHEMBL51667 0.98 SHBG (0.53) SHBGCYP3A4HIF1ACYP2D6MEN1
SCHEMBL11468358 0.97 SHBG (0.52) SHBGCYP3A4HIF1ACYP2D6MEN1
SCHEMBL11449299 0.97 SHBG (0.52) SHBGCYP3A4HIF1ACYP2D6MEN1
Trolamine SCHEMBL27711739 0.89 CYP3A4 (0.43) SHBGCYP3A4HIF1ACYP2D6MEN1
SCHEMBL11355410 0.88 SHBG (0.53) SHBGCYP3A4HIF1ACYP2D6MEN1
Butylamine SCHEMBL2957075 0.87 CYP3A4 (0.42) SHBGCYP3A4HIF1ACYP2D6MEN1
Butylamine SCHEMBL30439632 0.87 CYP3A4 (0.42) SHBGCYP3A4HIF1ACYP2D6MEN1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0195898-B1 A METHOD OF INCREASING THE LIGHT FATIGUE RESISTANCE OF A PHOTOCHROMIC COMPOSITION AND PHOTOCHROMIC COMPOSITION AMERICAN OPTICAL CORPORATION (US) 1988-11-02 EP claimed
EP-0134633-B1 PHOTOCHROMIC COMPOSITION AMERICAN OPTICAL CORPORATION (US) 1988-06-08 EP claimed
US-4699473-A PHOTOCOLORABILITY; LENSES AMERICAN OPTICAL CORPORATION (US) 1987-10-13 US claimed
EP-0195898-A1 A method of increasing the light fatigue resistance of a photochromic composition and photochromic composition AMERICAN OPTICAL CORPORATION (US) 1986-10-01 EP claimed
EP-0134633-A2 Photochromic composition AMERICAN OPTICAL CORPORATION (US) 1985-03-20 EP claimed
US-4440672-A SPIRO(INDOLINE-2,3'-(3'H)-NAPHTN(1,2-B)(1,4) OXAZINES), ULTRAVIOLET STABILIZER AMERICAN OPTICAL CORPORATION (US) 1984-04-03 US claimed
EP-1657239-B1 Chromene compound TOKUYAMA CORP (JP) 2010-08-11 EP disclosed
EP-1655293-B1 Chromene compound and articles comprising the same TOKUYAMA CORP (JP) 2010-03-31 EP disclosed
EP-1655294-B1 Chromene compound and articles comprising the same TOKUYAMA CORP (JP) 2010-03-24 EP disclosed
EP-1184379-B1 CHROMENE COMPOUND TOKUYAMA CORP (JP) 2009-11-18 EP disclosed
EP-1657239-A2 Chromene compound Tokuyama Corporation (JP) 2006-05-17 EP disclosed
EP-1655293-A2 Chromene compound Tokuyama Corporation (JP) 2006-05-10 EP disclosed
EP-1655294-A2 Chromene compound Tokuyama Corporation (JP) 2006-05-10 EP disclosed
EP-0540690-A1 PHOTOCHROMIC CHROMENE COMPOUNDS. PPG INDUSTRIES INC (US) 1993-05-12 EP disclosed
US-5200116-A Which experience a reversible change from colorless to orange upon exposure to sunlight PPG INDUSTRIES, INC. (US) 1993-04-06 US disclosed
EP-0540690-A4 PHOTOCHROMIC CHROMENE COMPOUNDS. PPG INDUSTRIES INC (US) 1993-02-12 EP disclosed
WO-1992009593-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1992-06-11 WO disclosed
EP-0316179-A2 Photochromic compounds TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1989-05-17 EP disclosed
US-4699473-A PHOTOCOLORABILITY; LENSES AMERICAN OPTICAL CORPORATION (US) 1987-10-13 US disclosed
US-4440672-A SPIRO(INDOLINE-2,3'-(3'H)-NAPHTN(1,2-B)(1,4) OXAZINES), ULTRAVIOLET STABILIZER AMERICAN OPTICAL CORPORATION (US) 1984-04-03 US disclosed