SCHEMBL6131136

SCHEMBL6131136

CC(=CCCOC(=O)CCC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
EGLN1 Q9GZT9 4/20 0.37
KDM6B O15054 2/20 0.37
KDM5C P41229 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
SLC15A2 Q16348 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CD81 P60033 1/20 0.33
DGKA P23743 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
PPARG P37231 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
SLC13A3 Q8WWT9 1/20 0.31

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
SCHEMBL17363355 0.94 ADRA2A (0.42) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL4178740 0.86 ADRA2A (0.34) ADRA2AADRA1AMAPTBLMCD81
SCHEMBL4178735 0.86 ADRA2A (0.34) ADRA2AADRA1AMAPTBLMCD81
SCHEMBL1245603 0.84 ADRA2A (0.33) ADRA2AADRA1AMAPTBLMCD81
SCHEMBL1245606 0.84 ADRA2A (0.33) ADRA2AADRA1AMAPTBLMCD81
SCHEMBL28742803 0.81 NAAA (0.42) BLMALDH1A1CD81DGKAPPARG
SCHEMBL3404601 0.80 DGKA (0.43) ALDH1A1DGKAALOX15TDP1
SCHEMBL11520488 0.80 CD81 (0.33) CD81PPARGALOX15
SCHEMBL6549387 0.80 MGAM (0.40) CD81PPARGALOX15
SCHEMBL36409 0.80 MGAM (0.40) CD81PPARGALOX15

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-20050143491-A1 Ink composition for ink jet recording, manufacturing method of the same, and ink jet recording method FUJI PHOTO FILM., LTD. 2005-06-30 US disclosed