SCHEMBL4456935

SCHEMBL4456935

CCOc1ccc(CCOC(=O)c2ccccc2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.55
NPC1 O15118 5/20 0.54
LMNA P02545 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 4/20 0.54
TP53 P04637 2/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 5/20 0.49
TSHR P16473 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL29626023 0.82 TDP1 (0.70) TDP1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL901184 0.82 TDP1 (0.70) TDP1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL112400 0.82 TDP1 (0.70) TDP1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL4458661 0.82 ESR1 (0.57) TDP1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL10781090 0.80 HPGD (0.67) TDP1NPC1LMNARAB9ASMN1; SMN2
Phenethyl Propionate SCHEMBL28250125 0.80 TDP1 (0.57) TDP1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8667154 0.79 L3MBTL1 (0.62) TDP1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL6063013 0.79 TDP1 (0.85) TDP1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL30416074 0.79 TDP1 (0.85) TDP1NPC1LMNARAB9ASMN1; SMN2
Salicylic Acid SCHEMBL31020340 0.79 TDP1 (0.64) TDP1NPC1RAB9ASMN1; SMN2KDM4E

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