SCHEMBL8019591

SCHEMBL8019591

CCCCCCCC/C=C\CCCCCCCCc1cc(CCCCC)ccc1OP(Oc1ccc(CCCCC)cc1CCCCCCCC/C=C\CCCCCCCC)Oc1ccc(CCCCC)cc1CCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAD52 P43351 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PPARA Q07869 3/20 0.46
APAF1 O14727 2/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 1/20 0.44
LTA4H P09960 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 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
SCHEMBL21986292 0.91 HTT (0.54) HTTMAPTMAPK1MEN1KMT2A
SCHEMBL1100395 0.91 HTT (0.54) HTTMAPTMAPK1MEN1KMT2A
SCHEMBL8019596 0.91 PPARA (0.46) HTTMAPTMAPK1MEN1KMT2A
SCHEMBL8019592 0.91 PPARA (0.46) HTTMAPTMAPK1MEN1KMT2A
SCHEMBL125443 0.85 HTT (0.50) HTTMAPTMAPK1MEN1KMT2A
SCHEMBL29366175 0.85 HTT (0.50) HTTMAPTMAPK1MEN1KMT2A
SCHEMBL3563040 0.84 HTT (0.49) HTTMAPTMAPK1MEN1KMT2A
SCHEMBL29532511 0.84 HTT (0.49) HTTMAPTMAPK1MEN1KMT2A
SCHEMBL10602819 0.84 HTT (0.50) HTTMAPTMAPK1MEN1KMT2A
SCHEMBL28739195 0.84 PPARA (0.48) HTTMAPTMAPK1MEN1KMT2A

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