SCHEMBL4530674

SCHEMBL4530674

CCCC(CCC)OC(=O)C(C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.40
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CA1 P00915 3/20 0.34

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
SCHEMBL15821165 0.92 CTSK (0.46) CTSKTDP1PRKCAPRKCDCYP3A4
SCHEMBL4840489 0.91 PRKCA (0.44) CTSKCHRM1AKR1A1CHRM3HTR2A
SCHEMBL536621 0.90 CTSK (0.35) CTSKCHRM1AKR1A1CHRM3HTR2A
SCHEMBL4529720 0.90 CA1 (0.46) CTSKCA1ABCB1FAAHMAPT
SCHEMBL27597900 0.88 CTSK (0.40) CTSKCHRM1AKR1A1CHRM3HTR2A
SCHEMBL827770 0.84 CTSK (0.41) CTSKCHRM1AKR1A1CHRM3HTR2A
SCHEMBL297615 0.84 FAAH (0.47) CA1ABCB1FAAHMAPTLMNA
SCHEMBL2295564 0.84 FAAH (0.47) CA1ABCB1FAAHMAPTLMNA
SCHEMBL6151242 0.84 FAAH (0.47) CA1ABCB1FAAHMAPTLMNA
SCHEMBL28551183 0.82 FAAH (0.46) CA1ABCB1FAAHMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090246441-A1 System and Method for Photobleaching of Optical Media NBC UNIVERSAL, INC. (US) 2009-10-01 US disclosed