SCHEMBL7621670

SCHEMBL7621670

C=C(C)C(=O)OC(Oc1ccc(C(C)(C)c2ccc(OC(OC(=O)C(=C)C)C(OCC)(OCCC)OCCC)cc2)cc1)C(OCC)(OCCC)OCCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 3/20 0.35
GAA P10253 2/20 0.35
POLB P06746 2/20 0.34
ALDH1A1 P00352 7/20 0.34
TDP1 Q9NUW8 1/20 0.34
AR P10275 1/20 0.34
ACACB O00763 2/20 0.33
LMNA P02545 2/20 0.32
HIF1A Q16665 1/20 0.32
ELANE P08246 1/20 0.31

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
SCHEMBL8957651 0.94 AR (0.37) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL8957746 0.84 AR (0.31) AR
SCHEMBL8957665 0.83 AR (0.39) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL9067299 0.75 KDM4E (0.30) KDM4E
SCHEMBL957304 0.75 AR (0.39) KDM4EMEN1KMT2ASMN1; SMN2HTT
Propane SCHEMBL9476269 0.75 AR (0.39) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL7623770 0.73 KDM4E (0.43) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL59814 0.73 AR (0.39) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL19327020 0.72 ABCB11 (0.33) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL10375214 0.71 HTT (0.39) KDM4EMEN1KMT2ASMN1; SMN2HTT

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