SCHEMBL9821471

SCHEMBL9821471

CC(C)(C)CCCC(=O)OCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.46
DGKA P23743 1/20 0.44
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
DNM1 Q05193 1/20 0.37
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
CYP1A2 P05177 1/20 0.35
ACHE P22303 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
EPHX2 P34913 1/20 0.34
TSHR P16473 2/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL10667914 0.94 DGKA (0.47) MGLLDGKAADRA2AADRA1ADNM1
SCHEMBL9821493 0.92 DGKA (0.50) MGLLDGKAADRA2AADRA1ADNM1
SCHEMBL9821323 0.88 MGLL (0.41) MGLLDGKAADRA2AADRA1ADNM1
SCHEMBL26001657 0.85 DGKA (0.41) MGLLDGKAADRA2AADRA1ADNM1
SCHEMBL25885749 0.84 DGKA (0.48) MGLLDGKAADRA2AADRA1ADNM1
SCHEMBL26001650 0.84 DGKA (0.44) MGLLDGKAADRA2AADRA1ADNM1
SCHEMBL11508439 0.83 DGKA (0.48) MGLLDGKADNM1MAPTCYP4F2
SCHEMBL26001709 0.83 DGKA (0.40) MGLLDGKAADRA2AADRA1ADNM1
SCHEMBL26001715 0.83 DGKA (0.40) MGLLDGKAADRA2AADRA1ADNM1
SCHEMBL11506532 0.83 EPHX2 (0.49) MGLLDGKADNM1MAPTCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0181710-B1 STAIN-RESISTANT PLASTICIZERS AND POLYVINYL CHLORIDE COMPOSITIONS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-12-11 EP disclosed
US-4656214-A DIESTERS EXXON RESEARCH & ENGINEERING CO. (US) 1987-04-07 US disclosed
EP-0181710-A2 Stain-resistant plasticizers and polyvinyl chloride compositions EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-05-21 EP disclosed