SCHEMBL4458661

SCHEMBL4458661

CCOc1ccc(CCOC(=O)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 3/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
SCN1A P35498 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN3A Q9NY46 1/20 0.56
ADORA3 P0DMS8 1/20 0.54
HTR2A P28223 1/20 0.54
HTR7 P34969 1/20 0.54
OPRM1 P35372 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL8531498 0.86 TP53 (0.57) ESR1ESR2KMT2ALMNANPC1
SCHEMBL17552330 0.86 ESR1 (0.66) ESR1ESR2KMT2ALMNANPC1
SCHEMBL28324730 0.85 NPC1 (0.76) ESR1ESR2KMT2ALMNANPC1
SCHEMBL11064827 0.84 ALDH1A1 (0.73) ESR1KMT2ALMNANPC1MAPT
SCHEMBL18544178 0.84 ESR1 (0.64) ESR1ESR2KMT2ALMNANPC1
SCHEMBL17951280 0.83 ESR1 (0.62) ESR1ESR2KMT2ALMNANPC1
Phenethyl Benzoate SCHEMBL8013380 0.83 ESR1 (0.71) ESR1ESR2KMT2ALMNANPC1
SCHEMBL4317518 0.82 TDP1 (0.60) ESR1ESR2KMT2ANPC1RAB9A
Phenethyl Benzoate SCHEMBL4351681 0.82 ESR1 (0.80) ESR1ESR2KMT2ALMNANPC1
Phenethyl Benzoate SCHEMBL168823 0.82 ESR1 (0.80) ESR1ESR2KMT2ALMNANPC1

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