SCHEMBL27488449

SCHEMBL27488449

CCCCC(CC)CCCC(=O)Oc1cc(C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.48
GAA P10253 1/20 0.48
XBP1 P17861 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
VCAM1 P19320 9/20 0.41
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCL2L1 Q07817 1/20 0.36
CA2 P00918 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL27506647 0.95 ATM (0.48) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL27747901 0.93 ATM (0.49) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL27747907 0.88 ATM (0.49) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL8380059 0.86 VCAM1 (0.49) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL11782742 0.86 VCAM1 (0.49) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL8380055 0.86 VCAM1 (0.49) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL8378081 0.86 VCAM1 (0.49) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL11780531 0.86 VCAM1 (0.49) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL8377966 0.86 VCAM1 (0.49) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL8381451 0.86 VCAM1 (0.49) ATMGAAXBP1NPSR1L3MBTL1

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-1214093-C Turbine oil composition NIPPON MITSUBISHI OIL CORP (JP) 2005-08-10 CN disclosed
CN-1227258-A Turbine oil composition NIPPON OIL CO LTD (JP) 1999-09-01 CN disclosed