SCHEMBL4595934

SCHEMBL4595934

CC(C)CCCCCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCCCCCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
GAA P10253 4/20 0.45
CYP3A4 P08684 3/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
MEN1 O00255 1/20 0.41
GMNN O75496 1/20 0.41
GABBR2 O75899 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL4595680 1.00 PTGS2 (0.47) PTGS2GAACYP3A4KMT2AALDH1A1
SCHEMBL4595287 0.94 GAA (0.47) GAACYP3A4KMT2AALDH1A1LMNA
SCHEMBL4595179 0.94 GAA (0.47) GAACYP3A4KMT2AALDH1A1LMNA
SCHEMBL3230882 0.94 GAA (0.47) GAACYP3A4KMT2AALDH1A1LMNA
SCHEMBL421859 0.89 PTGS2 (0.58) PTGS2GAACYP3A4KMT2AALDH1A1
SCHEMBL5151481 0.89 PTGS2 (0.58) PTGS2GAACYP3A4KMT2AALDH1A1
SCHEMBL225812 0.89 PTGS2 (0.58) PTGS2GAACYP3A4KMT2AALDH1A1
SCHEMBL423476 0.89 PTGS2 (0.58) PTGS2GAACYP3A4KMT2AALDH1A1
SCHEMBL222426 0.89 PTGS2 (0.58) PTGS2GAACYP3A4KMT2AALDH1A1
SCHEMBL426302 0.89 PTGS2 (0.58) PTGS2GAACYP3A4KMT2AALDH1A1

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