SCHEMBL2230130

SCHEMBL2230130

CC(CO)CC(C)CC(C)CC(O)CCCCO

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.34
PSMD14 O00487 2/20 0.33
PLA2G1B P04054 2/20 0.33
MMP2 P08253 2/20 0.33
ATG4B Q9Y4P1 2/20 0.33
HSP90AA1 P07900 1/20 0.33
RAD52 P43351 1/20 0.33
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TRPA1 O75762 2/20 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
SCHEMBL11415041 0.81 LMNA (0.46) USP2CYP3A4TSHRPSMD14PLA2G1B
SCHEMBL20983510 0.80 THRB (0.48) USP2CYP3A4SMN1; SMN2TSHRPSMD14
SCHEMBL560826 0.80 THRB (0.52) TSHRTHRBTDP1TRPA1
SCHEMBL27076632 0.78 SMN1; SMN2 (0.36) USP2CYP3A4SMN1; SMN2TSHRPSMD14
SCHEMBL16074708 0.78 PSMD14 (0.37) USP2CYP3A4SMN1; SMN2TSHRPSMD14
SCHEMBL8722064 0.77 TSHR (0.43) TSHRPSMD14PLA2G1BMMP2ATG4B
SCHEMBL10764936 0.76 LMNA (0.50) SMN1; SMN2TSHRPSMD14PLA2G1BMMP2
SCHEMBL10765778 0.76 LMNA (0.50) SMN1; SMN2TSHRPSMD14PLA2G1BMMP2
SCHEMBL10764587 0.76 LMNA (0.50) SMN1; SMN2TSHRPSMD14PLA2G1BMMP2
SCHEMBL5050230 0.76 PSMD14 (0.35) USP2CYP3A4SMN1; SMN2TSHRPSMD14

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
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
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