SCHEMBL8982153

SCHEMBL8982153

C=C(C)C(=O)OCCSCc1ccc(CSCCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 3/20 0.38
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32

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
SCHEMBL4447117 0.94 THRB (0.43) THRBPOLBAPEX1HTTTDP1
SCHEMBL3138267 0.90 THRB (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL7519970 0.87 CYP2C19 (0.50) THRBPOLBAPEX1HTTTDP1
SCHEMBL13261677 0.85 THRB (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL4536017 0.84 THRB (0.48) THRBPOLBAPEX1HTTTDP1
SCHEMBL13484338 0.83 LMNA (0.36) THRBPOLBAPEX1HTTTDP1
SCHEMBL4294879 0.82 THRB (0.47) THRBPOLBAPEX1HTTTDP1
SCHEMBL13696520 0.82 CYP2C19 (0.43) THRBPOLBAPEX1HTTTDP1
SCHEMBL4457186 0.82 CYP1A2 (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL12960322 0.81 HRH3 (0.42) THRBPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090220770-A1 POLYMERIZABLE COMPOSITION, HIGH-REFRACTIVE-INDEX RESIN COMPOSITION, AND OPTICAL MEMBER MADE OF THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2009-09-03 US disclosed
US-20090220770-A1 POLYMERIZABLE COMPOSITION, HIGH-REFRACTIVE-INDEX RESIN COMPOSITION, AND OPTICAL MEMBER MADE OF THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2009-09-03 US disclosed
EP-0562861-B1 Optical materials with a high refractive index and method for producing the same MITSUBISHI CHEM CORP (JP) 1996-05-29 EP disclosed
US-5424339-A Addition polymerization of sulfur-containing acrylates and hydroxy acrylates folowed by reaction with diisocyanates MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1995-06-13 US disclosed
EP-0562861-A1 Optical materials with a high refractive index and method for producing the same MITSUBISHI CHEMICAL CORPORATION (JP) 1993-09-29 EP disclosed