SCHEMBL13299282

SCHEMBL13299282

CCCC(=O)OCCC(C)(C)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTR2C P28335 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DNM1 Q05193 1/20 0.37
MAPT P10636 2/20 0.36
BLM P54132 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
NAAA Q02083 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
CNR1 P21554 1/20 0.35
GRM4 Q14833 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 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) DGKAALDH1A1HTR2CADRA2AADRA1A
SCHEMBL4742506 0.80 DGKA (0.44) DGKAALDH1A1HTR2CADRA2AADRA1A
SCHEMBL27622385 0.80 DGKA (0.44) DGKAALDH1A1HTR2CADRA2AADRA1A
SCHEMBL27897028 0.79 ALDH1A1 (0.46) DGKAALDH1A1HTR2CLMNAHSD17B10
SCHEMBL1434579 0.79 GRM4 (0.35) HTR2CADRA2AADRA1ALMNAHSD17B10
SCHEMBL134437 0.78 DGKA (0.42) DGKAALDH1A1HTR2CADRA2AADRA1A
Ethylene Glycol Dibutanoate SCHEMBL104207 0.78 DGKA (0.65) DGKAALDH1A1HTR2CADRA2AADRA1A
Hydrochloric Acid SCHEMBL11556216 0.78 ALDH1A1 (0.44) DGKAALDH1A1HTR2CLMNAHSD17B10
SCHEMBL26454935 0.78 DGKA (0.45) DGKAALDH1A1HTR2CADRA2AADRA1A
SCHEMBL11357278 0.76 DGKA (0.44) DGKAALDH1A1HTR2CADRA2AADRA1A

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
WO-2010063612-A1 SILSESQUIOXANE PHOTOINITIATORS BASF SE (DE) 2010-06-10 WO disclosed