SCHEMBL7217229

SCHEMBL7217229

CC(C)CCCCCCCCOC(=O)C(C)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.37
BLM P54132 1/20 0.37
NAAA Q02083 1/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM4A O75164 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 2/20 0.32
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ESR1 P03372 1/20 0.32
PTPN1 P18031 1/20 0.32
ACHE P22303 2/20 0.32
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL7223675 1.00 RARB (0.37) RARBBLMNAAAKDM4CKDM4A
SCHEMBL7217831 1.00 RARB (0.37) RARBBLMNAAAKDM4CKDM4A
SCHEMBL7217153 0.98 BLM (0.38) RARBBLMNAAAKDM4CKDM4A
SCHEMBL14292486 0.92 BLM (0.39) RARBBLMLMNAALDH1A1PTPN1
Acrylic Acid SCHEMBL27575799 0.89 TSHR (0.41) RARBBLMKDM4CKDM4APHF8
SCHEMBL7223093 0.85 NAAA (0.38) RARBBLMNAAATSHREPHX1
SCHEMBL7224119 0.85 NAAA (0.38) RARBBLMNAAATSHREPHX1
SCHEMBL7223724 0.85 NAAA (0.38) RARBBLMNAAATSHREPHX1
SCHEMBL7224701 0.85 NAAA (0.52) NAAALMNATSHREPHX1ALDH1A1
SCHEMBL7223870 0.85 NAAA (0.52) NAAALMNATSHREPHX1ALDH1A1

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
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP disclosed