SCHEMBL6780414

SCHEMBL6780414

CCCCCCCCc1ccc(OP(=O)(Oc2ccc(CCCCCCCC)c(CCCCCCCC)c2CCCCCCCC)Sc2ccc(CCCCCCCC)c(CCCCCCCC)c2CCCCCCCC)c(CCCCCCCC)c1CCCCCCCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARA Q07869 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC2A1 P11166 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ENPP2 Q13822 1/20 0.32
PPARG P37231 1/20 0.32
TYMP P19971 2/20 0.31
CYSLTR2 Q9NS75 1/20 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
SCHEMBL11126793 1.00 TYR (0.35) TYRTSHRMEN1KMT2AALDH1A1
SCHEMBL6780218 1.00 TYR (0.35) TYRTSHRMEN1KMT2AALDH1A1
SCHEMBL1606161 0.95 CTRC (0.33)
SCHEMBL1605054 0.87
SCHEMBL9169769 0.84 PPARA (0.42) PPARAALOX5SLC2A1THRATHRB
SCHEMBL17491577 0.82 TYR (0.41) TYRTSHRMEN1KMT2AALDH1A1
SCHEMBL8958551 0.82 TYR (0.41) TYRTSHRMEN1KMT2AALDH1A1
SCHEMBL11128598 0.82 TYR (0.41) TYRTSHRMEN1KMT2AALDH1A1
SCHEMBL290842 0.82 TYR (0.41) TYRTSHRMEN1KMT2AALDH1A1
SCHEMBL10350944 0.82 TYR (0.41) TYRTSHRMEN1KMT2AALDH1A1

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
US-6756346-B1 LOW ASH; ENVIRONMENTAL PROTECTION; PHOSPHOROTHIONATE, AMINE SALT OF PHOSPHORUS COMPOUND AND DITHIOPHOSPHATE ANTIWEAR AGENT; POLYALKYLENE POLYAMINE AND CARBOXYLIC ACID RUST PREVENTING AGENT SHELL OIL COMPANY 2004-06-29 US disclosed
EP-1109882-B1 LUBRICATING OIL COMPOSITION USEFUL IN HYDRAULIC FLUIDS SHELL INT RESEARCH (NL) 2002-07-17 EP disclosed
EP-1109882-A1 LUBRICATING OIL COMPOSITION USEFUL IN HYDRAULIC FLUIDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2001-06-27 EP disclosed
WO-2000011122-A1 LUBRICATING OIL COMPOSITION USEFUL IN HYDRAULIC FLUIDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2000-03-02 WO disclosed