SCHEMBL7630968

SCHEMBL7630968

C=CC(=O)OCCCOCCCOc1ccc(C(C)(C)c2ccc(OCCCOCCCOC(=O)C=C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
ALDH1A1 P00352 10/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 4/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 9/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
POLB P06746 3/20 0.44
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7625535 1.00 THRB (0.51) THRBALDH1A1GAATSHRHPGD
SCHEMBL246239 0.96 THRB (0.55) THRBALDH1A1GAATSHRHPGD
SCHEMBL11132915 0.93 THRB (0.55) THRBALDH1A1GAATSHRHPGD
SCHEMBL21154699 0.92 TSHR (0.59) THRBALDH1A1GAATSHRHPGD
SCHEMBL5899547 0.91 THRB (0.61) THRBALDH1A1GAATSHRHPGD
SCHEMBL825028 0.91 THRB (0.50) THRBALDH1A1GAATSHRHPGD
SCHEMBL7631129 0.90 THRB (0.60) THRBALDH1A1GAATSHRHPGD
SCHEMBL12281676 0.90 THRB (0.60) THRBALDH1A1GAATSHRHPGD
SCHEMBL19770675 0.90 THRB (0.60) THRBALDH1A1GAATSHRHPGD
SCHEMBL16804047 0.90 THRB (0.60) THRBALDH1A1GAATSHRHPGD

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