SCHEMBL9910595

SCHEMBL9910595

CCCCCCCCOC(=O)C1CC2OC2CC1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.45
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
EPHX1 P07099 1/20 0.39
FAAH O00519 1/20 0.39
TSHR P16473 2/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL22534510 1.00 NAAA (0.45) NAAACHRM2CHRM4CHRM5CHRM1
SCHEMBL2322393 0.94 PPM1B (0.41) NAAACHRM2CHRM4CHRM5CHRM1
SCHEMBL123577 0.92 NAAA (0.52) NAAACHRM2CHRM4CHRM5CHRM1
SCHEMBL9656347 0.92 NAAA (0.52) NAAACHRM2CHRM4CHRM5CHRM1
SCHEMBL9188266 0.92 NAAA (0.52) NAAACHRM2CHRM4CHRM5CHRM1
SCHEMBL9655845 0.92 NAAA (0.52) NAAACHRM2CHRM4CHRM5CHRM1
SCHEMBL9656983 0.88 PPM1B (0.50) NAAACHRM2CHRM4CHRM5CHRM1
SCHEMBL13935464 0.88 PPM1B (0.50) PPM1BPTPN1PPP1CC
SCHEMBL14394363 0.87 NAAA (0.46) NAAACHRM2CHRM4CHRM5CHRM1
SCHEMBL13935401 0.87 NAAA (0.46) NAAACHRM2CHRM4CHRM5CHRM1

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
US-8197051-B2 Ink jet recording ink set and ink jet image recording method FUJIFILM CORPORATION (JP) 2012-06-12 US disclosed
US-20090073246-A1 Ink Jet Recording Ink Set and Ink Jet Image Recording Method FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed