SCHEMBL4559892

SCHEMBL4559892

CC(C)CCCCCc1ccc2c(c1)OOCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRNA4 P43681 1/20 0.37
FUT7 Q11130 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
TRPA1 O75762 1/20 0.32
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
AKT1 P31749 2/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL229771 0.89 FUT7 (0.36) CHRM1FUT7GRIN2DGRIN2AGRIN2B
SCHEMBL3259875 0.85 SLC6A2 (0.40) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL1325123 0.76 AKT1 (0.33) AKT1HIF1AEPAS1
SCHEMBL11854826 0.76 GRIN2D (0.37) GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL27695101 0.75 CHRM2 (0.44) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL9735580 0.74 ATM (0.44) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL95278 0.74 CHRM2 (0.33) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL7161094 0.73 SLC6A2 (0.41) CHRM2CHRM1CHRM3HIF1ASLC6A2
SCHEMBL7159573 0.73 SLC6A2 (0.41) CHRM2CHRM1CHRM3HIF1ASLC6A2
SCHEMBL7159798 0.73 SLC6A2 (0.41) CHRM2CHRM1CHRM3HIF1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007123846-A2 SYNTHESIS, FUNCTIONALIZATION AND ASSEMBLY OF MONODISPERSE HIGH-COERCIVITY SILICA-CAPPED FEPT NANOMAGNETS OF TUNABLE SIZE, COMPOSITION AND THERMAL STABILITY FROM MICROEMULSIONS RENSSELAER POLYTECHNIC INSTITUTE (US) 2007-11-01 WO claimed
US-20090311556-A1 SYNTHESIS, FUNCTIONALIZATION AND ASSEMBLY OF MONODISPERSE HIGH-COERCIVITY SILICA-CAPPED FePt NANOMAGNETS OF TUNABLE SIZE, COMPOSITION AND THERMAL STABILITY FROM IMCROEMULSIONS RENSSELAER POLYTECHNIC INSTITUTE 2009-12-17 US disclosed