SCHEMBL8019592

SCHEMBL8019592

CCCCCCCC/C=C\CCCCCCCCc1cc(CCCCC)ccc1OP(O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.46
PPARG P37231 1/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
APAF1 O14727 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LTA4H P09960 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR1A P08908 2/20 0.42

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
SCHEMBL8019596 1.00 PPARA (0.46) PPARAPPARGHTTMAPTMAPK1
SCHEMBL28354766 0.92 HTT (0.49) PPARAPPARGHTTMAPTMAPK1
SCHEMBL9239878 0.92 HTT (0.49) PPARAPPARGHTTMAPTMAPK1
SCHEMBL8019591 0.91 HTT (0.48) PPARAPPARGHTTMAPTMAPK1
SCHEMBL31290840 0.86 HTT (0.45) HTTMAPTMAPK1APAF1THRB
SCHEMBL2715741 0.86 HTT (0.45) HTTMAPTMAPK1APAF1THRB
SCHEMBL11023824 0.85 HTT (0.42) HTTMAPTMAPK1APAF1THRB
SCHEMBL28739184 0.85 PPARA (0.48) PPARAPPARG
SCHEMBL10730145 0.84 HTT (0.49) PPARAPPARGHTTMAPTMAPK1
SCHEMBL10411644 0.83 F7 (0.43) PPARAPPARGMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0157969-B2 Organo-borate compositions and their use in lubricants LUBRIZOL CORP (US) 2000-01-12 EP disclosed
EP-0157969-A1 Organo-borate compositions and their use in lubricants The Lubrizol Corporation (US) 1985-10-16 EP disclosed
US-3959159-A Nitrogen-containing mixed esters and lubricants THE LUBRIZOL CORPORATION (US) 1976-05-25 US disclosed
US-3956149-A CARBOXY-CONTAINING COPOLYMER THE LUBRIZOL CORPORATION (US) 1976-05-11 US disclosed