SCHEMBL16377282

SCHEMBL16377282

O=C(CCCCCCCCC(=O)OCc1ccccc1)CCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CASP1 P29466 1/20 0.52
HDAC1 Q13547 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
ADRA1A P35348 1/20 0.51
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL19007857 0.92 MAPT (0.62) TDP1MAPK1MAPTRXFP1ALDH1A1
SCHEMBL14368556 0.92 TDP1 (0.61) TDP1MAPK1MAPTRXFP1ALDH1A1
SCHEMBL19007852 0.90 ALDH1A1 (0.59) TDP1MAPK1MAPTRXFP1ALDH1A1
SCHEMBL28600680 0.88 ALDH1A1 (0.66) TDP1MAPK1MAPTRXFP1ALDH1A1
SCHEMBL4941879 0.88 ALDH1A1 (0.66) TDP1MAPK1MAPTRXFP1ALDH1A1
SCHEMBL20624816 0.88 ALDH1A1 (0.66) TDP1MAPK1MAPTRXFP1ALDH1A1
SCHEMBL28434793 0.88 ALDH1A1 (0.66) TDP1MAPK1MAPTRXFP1ALDH1A1
SCHEMBL2926392 0.88 ALDH1A1 (0.66) TDP1MAPK1MAPTRXFP1ALDH1A1
SCHEMBL118235 0.88 ALDH1A1 (0.66) TDP1MAPK1MAPTRXFP1ALDH1A1
SCHEMBL10621313 0.88 ALDH1A1 (0.66) TDP1MAPK1MAPTRXFP1ALDH1A1

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-2015002746-A2 BIOBASED EPOXIDIZED FATTY ACID ESTER PLASTICIZERS FERRO CORPORATION (US) 2015-01-08 WO disclosed