SCHEMBL2230052

SCHEMBL2230052

CCCCC(O)CC(O)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.38
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDCD4 Q53EL6 3/20 0.36
SPHK1 Q9NYA1 1/20 0.35
NFKB1 P19838 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CTSK P43235 1/20 0.34
FDPS P14324 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
DNM1 Q05193 1/20 0.33

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
SCHEMBL31509354 0.95 GPR84 (0.40) GPR84FFAR4FFAR1L3MBTL1SPHK1
SCHEMBL109319 0.95 GPR84 (0.40) GPR84FFAR4FFAR1L3MBTL1SPHK1
SCHEMBL31509349 0.95 GPR84 (0.40) GPR84FFAR4FFAR1L3MBTL1SPHK1
SCHEMBL20590383 0.93 GPR84 (0.45) GPR84FFAR4FFAR1PDCD4SPHK1
SCHEMBL1028554 0.88 GPR84 (0.48) GPR84FFAR4FFAR1SPHK1NFKB1
SCHEMBL14533070 0.87 GPR84 (0.44) GPR84FFAR4FFAR1NFKB1ALDH1A1
SCHEMBL14533072 0.87 GPR84 (0.44) GPR84FFAR4FFAR1NFKB1ALDH1A1
SCHEMBL4378460 0.87 GPR84 (0.44) GPR84FFAR4FFAR1NFKB1ALDH1A1
SCHEMBL7594452 0.86 GPR84 (0.52) GPR84FFAR4FFAR1SPHK1NFKB1
SCHEMBL8670015 0.86 GPR84 (0.52) GPR84FFAR4FFAR1SPHK1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131530-A1 A CLEANING COMPOSITION FOR METAL SUBSTRATES PRETREATMENT AND ITS PREPARATION METHOD AND APPLICATION THEREOF BASF COATINGS GMBH (DE) 2023-07-13 WO disclosed
US-8741809-B2 Liquid pyraclostrobin-containing crop protection formulations BASF SE (DE) 2014-06-03 US disclosed
CN-102176820-A Liquid crop protection formulations containing pyraclostrobin BASF SE 2011-09-07 CN disclosed
US-20110195846-A1 Liquid Pyraclostrobin-Containing Crop Protection Formulations BASF SE (DE) 2011-08-11 US disclosed
EP-2346322-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040835-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed