SCHEMBL1760617

SCHEMBL1760617

CCCc1cc(O)c(CCC)c(CCC)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.42
MAPK1 P28482 3/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALOX5 P09917 1/20 0.40
PRKCI P41743 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 1/20 0.39
KDM4E B2RXH2 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
THRB P10828 3/20 0.39
MAPT P10636 3/20 0.39
RECQL P46063 3/20 0.39

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
SCHEMBL31633427 0.84 HMGCR (0.44) HMGCRMAPK1HTTNPC1HPGD
SCHEMBL4806602 0.84 HMGCR (0.44) HMGCRMAPK1HTTNPC1HPGD
SCHEMBL1760544 0.83 HTT (0.57) MAPK1HTTNPC1HPGDRAB9A
SCHEMBL31545962 0.83 HMGCR (0.42) HMGCRMAPK1HTTNPC1HPGD
SCHEMBL5589047 0.83 HMGCR (0.42) HMGCRMAPK1HTTNPC1HPGD
SCHEMBL10531604 0.80 GSR (0.42) HMGCRMAPK1HTTNPC1HPGD
SCHEMBL10531617 0.80 HMGCR (0.33) HMGCRMAPK1HTTNPC1HPGD
Formaldehyde SCHEMBL11068310 0.79 PTPN1 (0.41) HMGCRMAPK1HTTNPC1HPGD
SCHEMBL27887691 0.77 HMGCR (0.45) HMGCRMAPK1HTTCNR1CNR2
SCHEMBL5676592 0.77 PGAM1 (0.43) HMGCRMAPK1HTTNPC1HPGD

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-2499676-A1 SOLAR CELL MODULES WITH POLYMER ENCAPSULANT COMPRISING REDUCING AGENTS E. I. du Pont de Nemours and Company (US) 2012-09-19 EP disclosed
US-20110114159-A1 SOLAR CELL MODULES WITH POLYMER ENCAPSULANT COMPRISING REDUCING AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 US disclosed
US-4571435-A SUSTAINED RELEASE TENNESSEE VALLEY AUTHORITY (US) 1986-02-18 US disclosed
US-4379939-A Preparation of nitrogen fertilizers from oxalate esters prepared by the oxidative carbonylation of alcohols over noble metal catalysts utilizing regenerable 2,5-cyclohexadiene-1,4-dione oxidants TENNESSEE VALLEY AUTHORITY (US) 1983-04-12 US disclosed