SCHEMBL9547590

SCHEMBL9547590

CCC(CC)(CCCCCOC(N)=O)OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
LMNA P02545 3/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
HTR1A P08908 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNA7 P36544 1/20 0.36
NAAA Q02083 1/20 0.35
FAAH O00519 1/20 0.33
EPHX1 P07099 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL11767185 0.93 ALOX15 (0.40) ALOX15LMNAHSD17B10TSHRCHRM2
SCHEMBL5831644 0.82 LMNA (0.39) ALOX15LMNAHSD17B10TSHRCHRM2
SCHEMBL9788360 0.77 TSHR (0.50) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL29694577 0.76 LMNA (0.37) ALOX15LMNAHSD17B10TSHRCHRM2
SCHEMBL29163515 0.76 ALOX15 (0.44) ALOX15LMNAHSD17B10TSHRCHRM2
SCHEMBL28904971 0.76 ALOX15 (0.44) ALOX15LMNAHSD17B10TSHRCHRM2
SCHEMBL28525251 0.76 ALOX15 (0.44) ALOX15LMNAHSD17B10TSHRCHRM2
SCHEMBL9728288 0.75 LMNA (0.45) ALOX15LMNAHSD17B10TSHR
SCHEMBL5721317 0.74 TSHR (0.50) ALOX15LMNATSHRCHRM2CHRM4
SCHEMBL2746089 0.74 TSHR (0.50) ALOX15LMNATSHRCHRM2CHRM4

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-5194660-A Processes for producing carbamates and isocyanates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-16 US disclosed