SCHEMBL4458912

SCHEMBL4458912

C=C(C)C(=O)OCCC(O)Oc1ccccc1C(C)(C)c1ccccc1OC(O)CCOC(=O)C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 3/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
PPARG P37231 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
ELANE P08246 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL3901706 0.83 ATM (0.36) TDP1ATMHTTKDM4EALDH1A1
SCHEMBL4120520 0.80 ALDH1A1 (0.44) TDP1ATMHTTPOLBAPEX1
SCHEMBL16610588 0.80 KDM4E (0.46) TDP1TSHRKDM4EALDH1A1GAA
SCHEMBL27230002 0.80 ALDH1A1 (0.40) TDP1ATMHTTKDM4EALDH1A1
SCHEMBL1662183 0.80 TDP1 (0.36) TDP1ATMHTTPOLBAPEX1
SCHEMBL11138026 0.79 TDP1 (0.49) TDP1ATMHTTPOLBAPEX1
SCHEMBL513073 0.79 TDP1 (0.45) TDP1HTTPOLBAPEX1THRB
SCHEMBL19335473 0.78 TDP1 (0.40) TDP1HTTPOLBAPEX1THRB
SCHEMBL3629782 0.77 HTT (0.41) TDP1HTTPOLBAPEX1THRB
SCHEMBL29376964 0.76 CYP1A2 (0.48) TDP1ATMTSHRKDM4EALDH1A1

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
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-20070149639-A1 Polymerizable composition, optical material comprising the composition and method for producing the material HORIKOSHI HIROSHI 2007-06-28 US disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed