SCHEMBL2531968

SCHEMBL2531968

CC(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
PTPN1 P18031 1/20 0.39
MAPT P10636 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
DNM1 Q05193 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
CYP19A1 P11511 1/20 0.37
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
CA1 P00915 1/20 0.35
CYP1A2 P05177 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
SCHEMBL433535 0.94 DGKA (0.47) MGLLDGKAMAPTTDP1DNM1
SCHEMBL3065242 0.92 DGKA (0.50) MGLLDGKAMAPTDNM1KDM4E
SCHEMBL11664799 0.92 DGKA (0.50) MGLLDGKAMAPTDNM1KDM4E
SCHEMBL28259218 0.92 DGKA (0.46) MGLLDGKAMAPTTDP1DNM1
SCHEMBL2528832 0.90 DGKA (0.42) MGLLDGKAPTPN1MAPTADRA2A
SCHEMBL2530042 0.89 DGKA (0.41) MGLLDGKAPTPN1MAPTADRA2A
SCHEMBL2531971 0.88 CA1 (0.43) MGLLDGKAMAPTADRA2AADRA1A
SCHEMBL4160276 0.88 DGKA (0.47) DGKAPTPN1MAPTADRA2AADRA1A
SCHEMBL4285860 0.88 DGKA (0.47) DGKAPTPN1MAPTADRA2AADRA1A
SCHEMBL2525938 0.87 DGKA (0.44) DGKAMAPTDNM1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
CN-103060028-B Diesel additive composition containing alkyl ethylene glycol acetic acid and application thereof CHINA PETROLEUM & CHEMICAL 2015-03-18 CN disclosed
CN-102453558-B Low-sulfur diesel oil lubricating additive composition and application thereof CHINA PETROLEUM & CHEMICAL 2014-03-12 CN disclosed
CN-103060028-A Diesel additive composition containing alkyl ethylene glycol acetic acid and application thereof CHINA PETROLEUM & CHEMICAL 2013-04-24 CN disclosed