SCHEMBL8784281

SCHEMBL8784281

COc1ccc(C(C)(c2ccc(OC)cc2OC)c2ccc(OC)cc2OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ALDH1A1 P00352 6/20 0.44
CYP1A1 P04798 5/20 0.44
CYP1A2 P05177 5/20 0.44
CYP1B1 Q16678 5/20 0.44
CYP3A4 P08684 2/20 0.44
NFE2L2 Q16236 2/20 0.42
LPAR1 Q92633 1/20 0.41
NPC1 O15118 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP4B1 P13584 1/20 0.41

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
SCHEMBL8784810 0.88 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL8784265 0.81 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL31525792 0.80 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL799917 0.80 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL11523679 0.80 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL8784495 0.80 LPAR1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL3724676 0.80 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL17024447 0.80 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL8784943 0.80 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL3098811 0.77 CA1 (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703498-B1 Photosensitive resin composition and method for forming a photoresist pattern MITSUBISHI CHEM CORP (JP) 1997-12-29 EP disclosed
US-5698362-A CONTAINING A TRIARYLMETHANE DERIVATIVE; HIGH RESOLUTION, EXCELLENT IN DEPTH OF FOCUS AND PATTERN PROFILE, STORAGE STABLE MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-16 US disclosed
EP-0703498-A1 Photosensitive resin composition and method for forming a photoresist pattern MITSUBISHI CHEMICAL CORPORATION (JP) 1996-03-27 EP disclosed