SCHEMBL8437006

SCHEMBL8437006

CCCCCCCCCCC(CC)COP(OCC(CC)CCCCCCCCCC)OCC(CC)CCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 5/20 0.40
DNM1 Q05193 2/20 0.39
CA2 P00918 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.36
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
RECQL P46063 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
SCHEMBL11521781 0.91 LMNA (0.48) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL225460 0.91 CYP3A4 (0.53) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL11525354 0.91 LMNA (0.48) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL11679402 0.89 CYP3A4 (0.52) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL11677949 0.89 CYP3A4 (0.52) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL11311699 0.89 CYP3A4 (0.46) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL5076284 0.86 CYP3A4 (0.48) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL16778116 0.86 CYP3A4 (0.42) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL29019748 0.85 LMNA (0.41) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL8435978 0.84 LMNA (0.47) CYP3A4L3MBTL1PRSS1PRSS2PRSS3

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
US-5922654-A TWO OR MORE ORGANOMETALLIC COMPOUNDS WHERE THE METAL IS A TRANSITION METAL OR SEMIMETAL, OR ZINC; FOR EXAMPLE, ZINC DIALKYLDITHIOPHOSPHATE, OR NICKEL DIALKYLDITHIOCARBAMATE; HIGHER LOAD BEARING PROPERTIES, HIGH TEMPERATURE PERFORMANCE NSK LTD. (JP) 1999-07-13 US disclosed