SCHEMBL4875783

SCHEMBL4875783

CCCCCCOCC(COCCCCCC)(COCCCCCC)COCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.57
THRB P10828 2/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
CES2 O00748 2/20 0.47
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 2/20 0.42
SPHK1 Q9NYA1 1/20 0.38
LPAR3 Q9UBY5 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL11151385 1.00 CES1 (0.57) CES1THRBHTTMEN1KMT2A
SCHEMBL11149666 1.00 CES1 (0.57) CES1THRBHTTMEN1KMT2A
SCHEMBL19549630 1.00 CES1 (0.57) CES1THRBHTTMEN1KMT2A
SCHEMBL17775385 0.95 CES1 (0.52) CES1THRBHTTMEN1KMT2A
SCHEMBL14369415 0.91 CES1 (0.50) CES1THRBHTTMEN1KMT2A
SCHEMBL13165932 0.90 CES1 (0.53) CES1THRBHTTMEN1KMT2A
SCHEMBL4879022 0.90 CES1 (0.53) CES1THRBHTTMEN1KMT2A
SCHEMBL15412040 0.90 CES1 (0.53) CES1THRBHTTMEN1KMT2A
SCHEMBL15412436 0.90 CES1 (0.53) CES1THRBHTTMEN1KMT2A
SCHEMBL19565355 0.90 CES1 (0.53) CES1THRBHTTMEN1KMT2A

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
US-20080058235-A1 Lubricative Composition for Industrial Machinery and Equipment NIPPON OIL CORPORATION (JP) 2008-03-06 US disclosed
EP-1734103-A1 LUBRICATING OIL COMPOSITION FOR INDUSTRIAL MACHINERY AND EQUIPMENT Nippon Oil Corporation (JP) 2006-12-20 EP disclosed
US-4374282-A REACTING A POLYOL WITH AN ALKYL HALIDE IN A SOLVENT CONTAINING AN AQUEOUS ALKALI COMPOUND AND A PHASE TRANSFER AGENT ELF FRANCE (FR) 1983-02-15 US disclosed