SCHEMBL2944506

SCHEMBL2944506

CCCCCCCCCCC(CCCCCCOC(=O)O)OC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.49
NAAA Q02083 1/20 0.47
EPHX1 P07099 1/20 0.44
TSHR P16473 2/20 0.43
GPR84 Q9NQS5 7/20 0.43
FFAR1 O14842 1/20 0.43
ZDHHC7 Q9NXF8 1/20 0.42
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1728124 1.00 HCAR2 (0.49) HCAR2NAAAEPHX1TSHRGPR84
SCHEMBL1730342 1.00 HCAR2 (0.49) HCAR2NAAAEPHX1TSHRGPR84
SCHEMBL19283427 0.93 GPR84 (0.43) HCAR2NAAAGPR84FFAR1ZDHHC7
SCHEMBL7625215 0.91 HCAR2 (0.35) HCAR2NAAAEPHX1TSHR
SCHEMBL25225334 0.89 GPR84 (0.52) GPR84FFAR1ZDHHC7MAPTLCK
SCHEMBL1838215 0.89 GPR84 (0.52) GPR84FFAR1ZDHHC7MAPTLCK
SCHEMBL1834998 0.89 GPR84 (0.52) GPR84FFAR1ZDHHC7MAPTLCK
SCHEMBL25278184 0.89 GPR84 (0.52) GPR84FFAR1ZDHHC7MAPTLCK
SCHEMBL1841442 0.89 GPR84 (0.52) GPR84FFAR1ZDHHC7MAPTLCK
SCHEMBL1836081 0.89 GPR84 (0.52) GPR84FFAR1ZDHHC7MAPTLCK

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
EP-2049550-B1 METHOD FOR PRODUCING COPPER-CONTAINING ORGANOMETALLIC FRAMEWORK MATERIAL BASF SE (DE) 2010-01-06 EP disclosed