SCHEMBL6400299

SCHEMBL6400299

C#CC(O)(c1ccc(OC)cc1)c1ccc(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 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
SCHEMBL30730695 0.92 CASP1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL10102361 0.88 ACHE (0.47) CA12CA1CA2CA7CA9
SCHEMBL25954061 0.87 ELANE (0.46) CA12CA1CA2CA7CA9
SCHEMBL164160 0.87 ELANE (0.46) CA12CA1CA2CA7CA9
SCHEMBL8132623 0.85 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL29149576 0.84 PDE4A (0.41) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25954066 0.84 ELANE (0.40) CA12CA1CA2CA7CA9
SCHEMBL25954058 0.82 LTA4H (0.48) CA12CA1CA2CA7CA9
SCHEMBL25954108 0.82 LTA4H (0.48) CA12CA1CA2CA7CA9
SCHEMBL25954105 0.82 ESR2 (0.48) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050258408-A1 Photochromic contact lenses and methods for their production MOLOCK FRANK F 2005-11-24 US disclosed
EP-0920645-B1 NAPHTHOPYRANS, COMPOSITIONS AND ARTICLES CONTAINING THEM CORNING INC (US) 2002-04-03 EP disclosed
EP-0920645-A4 NAPHTHOPYRANS, COMPOSITIONS AND ARTICLES CONTAINING THEM CORNING INC (US) 1999-08-25 EP disclosed
EP-0920645-A1 NAPHTHOPYRANS, COMPOSITIONS AND ARTICLES CONTAINING THEM CORNING INCORPORATED (US) 1999-06-09 EP disclosed
WO-1998004937-A1 NAPHTHOPYRANS, COMPOSITIONS AND ARTICLES CONTAINING THEM CORNING INCORPORATED (US) 1998-02-05 WO disclosed
WO-1994020869-A1 NOVEL BENZOPYRANS PPG INDUSTRIES, INC. (US) 1994-09-15 WO disclosed