SCHEMBL5045929

SCHEMBL5045929

CC(=O)Oc1ccc2cc(-c3ccc4cc(OC(C)=O)ccc4c3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA9 Q16790 2/20 0.57
KDM4E B2RXH2 4/20 0.54
GAA P10253 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
GLA P06280 2/20 0.54
POLB P06746 1/20 0.54
GAPDH P04406 1/20 0.54
HSD17B10 Q99714 1/20 0.53
LMNA P02545 4/20 0.53
FLT3 P36888 1/20 0.53
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TTR P02766 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49

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
SCHEMBL5048026 0.96 HSD17B10 (0.59) CA12CA9KDM4EGAATDP1
SCHEMBL3974361 0.91 CA12 (0.65) CA12CA9KDM4EGAATDP1
SCHEMBL30595409 0.91 CA12 (0.65) CA12CA9KDM4EGAATDP1
SCHEMBL5045660 0.88 HSD17B10 (0.75) CA12CA9KDM4EGAATDP1
SCHEMBL5352558 0.87 CA12 (0.61) CA12CA9KDM4EGAATDP1
SCHEMBL29705954 0.87 CA12 (0.61) CA12CA9KDM4EGAATDP1
SCHEMBL24315010 0.87 CYP11B1 (0.52) CA12CA9KDM4EGAATDP1
SCHEMBL6242526 0.85 LMNA (0.59) GAATDP1POLBHSD17B10LMNA
SCHEMBL253760 0.83 GLA (0.65) CA12CA9KDM4EGAATDP1
SCHEMBL30439313 0.83 KMT2A (0.61) CA12CA9KDM4EGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317066-B2 Liquid crystal polymers RENSSELAER POLYTECHNIC INSTITUTE (US) 2008-01-08 US disclosed
US-7317066-B2 Liquid crystal polymers RENSSELAER POLYTECHNIC INSTITUTE (US) 2008-01-08 US disclosed
US-7317066-B2 Liquid crystal polymers RENSSELAER POLYTECHNIC INSTITUTE (US) 2008-01-08 US disclosed
US-20060293490-A1 Liquid crystal polymers BENICEWICZ BRIAN 2006-12-28 US disclosed
US-7148311-B2 Liquid crystal polymers RENSSELAER POLYTECHNIC INSTITUTE (US) 2006-12-12 US disclosed
US-20050197483-A1 Liquid crystal polymers RENSSELAER POLYTECHNIC INSTITUTE (US) 2005-09-08 US disclosed