SCHEMBL2160340

SCHEMBL2160340

O=C(CCCO)OCCCOC(=O)CCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.48
CAMK2A Q9UQM7 1/20 0.43
MGLL Q99685 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
DNM1 Q05193 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
HTR2C P28335 1/20 0.38
NAAA Q02083 1/20 0.38
CYP1A2 P05177 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7725825 0.92 DGKA (0.46) DGKACAMK2AMGLLADRA2AADRA1A
SCHEMBL1592226 0.90 DGKA (0.50) DGKACAMK2AMGLLDNM1HTR2C
SCHEMBL20437591 0.90 DGKA (0.56) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL2353637 0.90 DGKA (0.48) DGKACAMK2AMGLLADRA2AADRA1A
SCHEMBL749774 0.90 DGKA (0.54) DGKAMGLLADRA2AADRA1ADNM1
SCHEMBL13818881 0.90 MGLL (0.50) DGKACAMK2AMGLLADRA2AADRA1A
SCHEMBL2181973 0.87 DGKA (0.58) DGKAMGLLADRA2AADRA1ADNM1
Ammonia Solution, Strong SCHEMBL1883069 0.87 MGLL (0.49) DGKACAMK2AMGLLADRA2AADRA1A
SCHEMBL114260 0.87 DGKA (0.52) DGKAMGLLADRA2AADRA1ADNM1
SCHEMBL10884010 0.87 DGKA (0.58) DGKAMGLLADRA2AADRA1ADNM1

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-20110180010-A1 CRYSTAL FORMS OF ASTAXANTHIN DSM IP ASSETS B.V. (NL) 2011-07-28 US disclosed