SCHEMBL8435978

SCHEMBL8435978

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
CYP3A4 P08684 5/20 0.43
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 5/20 0.42
CA2 P00918 3/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
DNM1 Q05193 2/20 0.37
RECQL P46063 1/20 0.36

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
SCHEMBL11314098 0.98 PRSS1 (0.45) LMNAPRSS1PRSS2PRSS3CYP3A4
SCHEMBL1876193 0.93 PRSS1 (0.42) LMNAPRSS1PRSS2PRSS3CYP3A4
SCHEMBL178142 0.92 ALDH1A1 (0.50) LMNAPRSS1PRSS2PRSS3CYP3A4
SCHEMBL28348841 0.90 CYP3A4 (0.49) LMNAPRSS1PRSS2PRSS3CYP3A4
SCHEMBL20658182 0.90 CYP3A4 (0.49) LMNAPRSS1PRSS2PRSS3CYP3A4
SCHEMBL31596331 0.90 CYP3A4 (0.44) LMNAPRSS1PRSS2PRSS3CYP3A4
SCHEMBL8437137 0.89 LMNA (0.47) LMNAPRSS1PRSS2PRSS3CYP3A4
SCHEMBL29088673 0.87 CYP3A4 (0.46) LMNAPRSS1PRSS2PRSS3CYP3A4
SCHEMBL5390222 0.87 CYP3A4 (0.41) LMNAPRSS1PRSS2PRSS3CYP3A4
SCHEMBL8437006 0.84 CYP3A4 (0.46) LMNAPRSS1PRSS2PRSS3CYP3A4

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