SCHEMBL5644113

SCHEMBL5644113

CC(CCC1(C(=O)O)CCC(C)CC1(CCC(C)CC(C)(C)C)C(=O)O)CC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL5646436 0.81
SCHEMBL5648951 0.78
SCHEMBL5645964 0.76
SCHEMBL5643869 0.76
SCHEMBL5646226 0.75 OPRM1 (0.31) OPRM1OPRD1OPRK1
SCHEMBL5646465 0.75 CYP1A2 (0.39) CYP1A2
SCHEMBL5645838 0.74 MEN1 (0.33)
SCHEMBL5516254 0.74
SCHEMBL5648947 0.72
SCHEMBL5644635 0.72 CYP1A2 (0.37) CYP1A2

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-7271282-B1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-09-18 US disclosed
US-7018961-B2 Refrigerating machine oil composition for carbon dioxide refrigerant IDEMITSU KOSAN CO., LTD. (JP) 2006-03-28 US disclosed