SCHEMBL4595287

SCHEMBL4595287

CC(C)CCCCCCCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
ALDH1A1 P00352 7/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 4/20 0.45
MAPK1 P28482 3/20 0.45
MEN1 O00255 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
BLM P54132 2/20 0.45
ATM Q13315 2/20 0.45
HIF1A Q16665 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GMNN O75496 1/20 0.45
GABBR2 O75899 1/20 0.45
TP53 P04637 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL3230882 1.00 GAA (0.47) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL4595179 1.00 GAA (0.47) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL4595934 0.94 PTGS2 (0.47) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL4595680 0.94 PTGS2 (0.47) GAAALDH1A1TSHRLMNAKMT2A
Propionic Acid SCHEMBL29043770 0.90 GAA (0.46) GAAALDH1A1TSHRLMNAKMT2A
Propionic Acid SCHEMBL31618954 0.90 GAA (0.46) GAAALDH1A1TSHRLMNAKMT2A
Propionic Acid SCHEMBL31618955 0.90 GAA (0.46) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL9472453 0.88 GAA (0.41) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL18193749 0.88 ALDH1A1 (0.57) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL3762751 0.88 ALDH1A1 (0.57) GAAALDH1A1TSHRLMNAKMT2A

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-1871860-A1 LUBRICATING OIL COMPOSITION WITH REDUCED PHOSPHORUS LEVELS ALBEMARLE CORPORATION (US) 2008-01-02 EP disclosed
WO-2006105267-A1 LUBRICATING OIL COMPOSITION WITH REDUCED PHOSPHORUS LEVELS ALBEMARLE CORPORATION (US) 2006-10-05 WO disclosed
US-20060223724-A1 Lubricating oil composition with reduced phosphorus levels SI GROUP, INC. 2006-10-05 US disclosed