SCHEMBL28294024

SCHEMBL28294024

CC(C)CCCCCOC(=O)/C=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
GABBR2 O75899 2/20 0.48
GABBR1 Q9UBS5 2/20 0.48
APP P05067 7/20 0.46
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX5 P09917 2/20 0.43
MET P08581 3/20 0.42
GPR55 Q9Y2T6 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 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
SCHEMBL2335025 1.00 ESR1 (0.49) ESR1GABBR2GABBR1APPLMNA
SCHEMBL14482404 0.91 GABBR2 (0.56) GABBR2GABBR1APPALOX5MET
SCHEMBL7754711 0.91 GABBR2 (0.56) GABBR2GABBR1APPALOX5MET
SCHEMBL6734358 0.90 GABBR2 (0.57) GABBR2GABBR1APPALOX5MET
SCHEMBL27640007 0.88 GABBR2 (0.44) ESR1GABBR2GABBR1APPLMNA
SCHEMBL2043021 0.86 APP (0.62) GABBR2GABBR1APPALOX5MET
SCHEMBL28983660 0.86 APP (0.62) GABBR2GABBR1APPALOX5MET
SCHEMBL28983662 0.86 APP (0.62) GABBR2GABBR1APPALOX5MET
SCHEMBL180576 0.86 APP (0.62) GABBR2GABBR1APPALOX5MET
SCHEMBL27640006 0.85 ESR1 (0.43) ESR1APPLMNATDP1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109652172-B Lubricating oil composition 英菲诺姆国际有限公司 2022-11-18 CN disclosed
CN-109652172-A Lubricant oil composite 英菲诺姆国际有限公司 2019-04-19 CN disclosed