SCHEMBL7630191

SCHEMBL7630191

C=C(C)C(=O)OC(COc1ccc(C(C)(C)c2ccc(OCC(OCCC)OC(=O)C(=C)C)cc2)cc1)OCCC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.45
HTT P42858 4/20 0.43
HIF1A Q16665 1/20 0.43
ACACB O00763 2/20 0.39
KDM4E B2RXH2 8/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 3/20 0.38
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
APEX1 P27695 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1468098 0.90 AR (0.46) ARHTTHIF1AKDM4EMEN1
SCHEMBL7631159 0.89 ACACB (0.41) ARHTTHIF1AACACBKDM4E
SCHEMBL5223398 0.86 AR (0.43) ARHTTHIF1AKDM4EMEN1
SCHEMBL8957781 0.85 AR (0.43) ARHTTHIF1AKDM4EMEN1
SCHEMBL4198618 0.82 AR (0.50) ARHTTHIF1AKDM4EMEN1
SCHEMBL30537232 0.82 AR (0.50) ARHTTHIF1AKDM4EMEN1
SCHEMBL8957665 0.80 AR (0.39) ARHTTHIF1AKDM4EMEN1
SCHEMBL7625145 0.80 AR (0.39) ARHTTHIF1AKDM4EMEN1
SCHEMBL27841783 0.78 AR (0.46) ARHTTHIF1AKDM4EMEN1
SCHEMBL24599334 0.77 AR (0.54) ARHTTHIF1AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942303-A CURABLE ADDITION TERPOLYMER BASED ON 2,2-BIS(P-(METH)ACRYLOYL -(P-(METH)ACRYLOYLOXY(ALKYLOXY)N-PHENYL)PROPANES, WHERE N IS 2-5, AND UNSATURATED COMPOUND; IMPACT STRENGTH; LOW SPECIFIC GRAVITY; LIGHTWEIGHT; EYEGLASSES; CONTACT LENSES; LENSES NOF CORPORATION (JP) 1999-08-24 US claimed
EP-0828167-B1 Resin composition for polymerization casting and optical material NOF CORP (JP) 2002-07-03 EP disclosed
US-5942303-A CURABLE ADDITION TERPOLYMER BASED ON 2,2-BIS(P-(METH)ACRYLOYL -(P-(METH)ACRYLOYLOXY(ALKYLOXY)N-PHENYL)PROPANES, WHERE N IS 2-5, AND UNSATURATED COMPOUND; IMPACT STRENGTH; LOW SPECIFIC GRAVITY; LIGHTWEIGHT; EYEGLASSES; CONTACT LENSES; LENSES NOF CORPORATION (JP) 1999-08-24 US disclosed
EP-0828167-A2 Resin composition for polymerization casting and optical material NOF CORPORATION (JP) 1998-03-11 EP disclosed