SCHEMBL27622385

SCHEMBL27622385

CCCC(=O)OCCC(C)(C)Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
DNM1 Q05193 1/20 0.37
MAPT P10636 2/20 0.36
BLM P54132 1/20 0.36
HTR2C P28335 1/20 0.36
MGLL Q99685 1/20 0.36
NAAA Q02083 1/20 0.35
THRB P10828 1/20 0.35
CNR1 P21554 1/20 0.35
TSHR P16473 1/20 0.34
TOP2A P11388 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
FAAH O00519 1/20 0.33
NLRP3 Q96P20 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL8340130 0.83 DGKA (0.47) DGKAALDH1A1ADRA2AADRA1ADNM1
SCHEMBL4742506 0.80 DGKA (0.44) DGKAALDH1A1ADRA2AADRA1ADNM1
SCHEMBL13299282 0.80 DGKA (0.44) DGKAALDH1A1ADRA2AADRA1ADNM1
SCHEMBL134437 0.78 DGKA (0.42) DGKAALDH1A1ADRA2AADRA1ADNM1
Ethylene Glycol Dibutanoate SCHEMBL104207 0.78 DGKA (0.65) DGKAALDH1A1ADRA2AADRA1ADNM1
SCHEMBL26454935 0.78 DGKA (0.45) DGKAALDH1A1ADRA2AADRA1ADNM1
SCHEMBL28307740 0.76 MGAM (0.43) TDP1FAAH
SCHEMBL11357278 0.76 DGKA (0.44) DGKAALDH1A1ADRA2AADRA1ADNM1
SCHEMBL125157 0.75
SCHEMBL15636150 0.75 DGKA (0.62) DGKAALDH1A1ADRA2AADRA1ADNM1

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
CN-1660766-A Ramification of omega oxyacid with lateral chain of chirality methyl SHANGHAI INST ORGANIC CHEM (CN) 2005-08-31 CN disclosed