SCHEMBL9659019

SCHEMBL9659019

CCCCC(CC)COP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(CC)CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HMGCR P04035 3/20 0.46
GAA P10253 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NR1I2 O75469 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TSHR P16473 5/20 0.38
ATM Q13315 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPK1 P28482 3/20 0.38
CYP1A2 P05177 2/20 0.38
BLM P54132 2/20 0.38
HIF1A Q16665 2/20 0.38
USP2 O75604 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.37
CA2 P00918 2/20 0.37

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
SCHEMBL6228436 0.91 CYP3A4 (0.47) CYP3A4L3MBTL1HMGCRGAAKMT2A
SCHEMBL27536442 0.85 CYP3A4 (0.56) CYP3A4L3MBTL1HMGCRGAAKMT2A
SCHEMBL11526769 0.83 CYP3A4 (0.42) CYP3A4L3MBTL1HMGCRGAAKMT2A
SCHEMBL28305121 0.81 CYP3A4 (0.54) CYP3A4L3MBTL1HMGCRGAANR1I2
SCHEMBL914599 0.81 HMGCR (0.50) CYP3A4L3MBTL1HMGCRGAAKMT2A
SCHEMBL10984731 0.80 HMGCR (0.49) CYP3A4HMGCRGAAKMT2AMEN1
SCHEMBL10989164 0.79 HMGCR (0.51) CYP3A4HMGCRGAAKMT2AMEN1
SCHEMBL11154052 0.79 HMGCR (0.48) CYP3A4HMGCRGAAKMT2AMEN1
SCHEMBL2679600 0.79 CYP3A4 (0.40) CYP3A4L3MBTL1HMGCRGAAKMT2A
SCHEMBL21814199 0.79 HMGCR (0.48) CYP3A4HMGCRGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510633-A1 Lubricating oil composition and use thereof JAPAN SUN OIL COMPANY, LTD. (JP) 1992-10-28 EP disclosed