SCHEMBL9620173

SCHEMBL9620173

COC(O)(CCCCCCCCCCCCCCCCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CES1 P23141 5/20 0.46
FAAH O00519 3/20 0.46
LTB4R Q15722 4/20 0.46
GRM2 Q14416 1/20 0.45
GRM3 Q14832 1/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 2/20 0.44
ALOX5 P09917 2/20 0.44
FDPS P14324 2/20 0.44
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL9716385 1.00 MAPT (0.49) MAPTRXFP1CES1FAAHLTB4R
SCHEMBL9620362 1.00 MAPT (0.49) MAPTRXFP1CES1FAAHLTB4R
SCHEMBL9781113 0.80 MAPT (0.55) MAPTRXFP1CES1FAAHLTB4R
SCHEMBL8662896 0.78 MAPT (0.56) MAPTRXFP1CES1FAAHLTB4R
SCHEMBL9620303 0.78 MAPT (0.56) MAPTRXFP1CES1FAAHLTB4R
SCHEMBL8666510 0.78 MAPT (0.56) MAPTRXFP1CES1FAAHLTB4R
SCHEMBL5619673 0.78 MAPT (0.52) MAPTRXFP1CES1FAAHLTB4R
SCHEMBL9620413 0.78 MAPT (0.56) MAPTRXFP1CES1FAAHLTB4R
SCHEMBL8084677 0.78 MAPT (0.49) MAPTRXFP1CES1FAAHLTB4R
SCHEMBL6372107 0.77 LTB4R (0.68) MAPTRXFP1CES1FAAHLTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0294649-B1 USE OF AN AQUEOUS COMPOSITION AS RUST INHIBITOR NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-02-26 EP disclosed
US-4888132-A ALKALI METAL SOAP OF A HYDROXY ARYL FATTY ACID NIPPON OIL AND FATS CO., LTD. (JP) 1989-12-19 US disclosed
EP-0294649-A1 Use of an aqueous composition as rust inhibitor NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-12-14 EP disclosed