SCHEMBL8136456

SCHEMBL8136456

C#CC12CC3CC(CC(C3)C1O)C2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
EPHX2 P34913 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL3840724 0.77 SLC22A2 (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9785088 0.76
SCHEMBL9639400 0.74
SCHEMBL4055790 0.69 CYP2C9 (0.41) CYP2C9EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL546127 0.67 CYP2C9 (0.39) CYP2C9EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL1497395 0.65 LMNA (0.43) CYP2C9GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14645140 0.65 GRIN2D (0.39) CYP2C9EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL812661 0.65 CYP2C9 (0.38) CYP2C9EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL3849728 0.64 CYP2C9 (0.36) CYP2C9GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL2807432 0.64 LMNA (0.46) CYP2C9GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0362771-B1 Use of photochromic substances RODENSTOCK OPTIK G (DE) 2000-05-31 EP disclosed
US-5637709-A Photochromatic substances OPTISCHE WERKE G. RODENSTOCK (DE) 1997-06-10 US disclosed
US-5608065-A ADAMANTANEOSPIRO-HETEROAROMATIC PYRANS OPTISCHE WERKE G. RODENSTOCK (DE) 1997-03-04 US disclosed
EP-0362771-A1 Photochromic substances Optische Werke G. Rodenstock (DE) 1990-04-11 EP disclosed
WO-1990003379-A1 PHOTOCHROMIC SUBSTANCES OPTISCHE WERKE G. RODENSTOCK (DE) 1990-04-05 WO disclosed