SCHEMBL5186405

SCHEMBL5186405

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(C)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
OPRM1 P35372 1/20 0.38
CYP3A4 P08684 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
FAAH O00519 5/20 0.35
DNM1 Q05193 1/20 0.34
TSHR P16473 2/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
ATM Q13315 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL12242147 0.85 CYP3A4 (0.52) LMNAOPRM1CYP3A4L3MBTL1ALDH1A1
SCHEMBL22826766 0.81 LMNA (0.39) LMNAPRSS1PRSS2PRSS3OPRM1
SCHEMBL24178792 0.80 LMNA (0.42) LMNAPRSS1PRSS2PRSS3OPRM1
SCHEMBL10483854 0.79 LMNA (0.50) LMNAPRSS1PRSS2PRSS3OPRM1
SCHEMBL18327084 0.78 LMNA (0.48) LMNAPRSS1PRSS2PRSS3OPRM1
SCHEMBL18327086 0.78 LMNA (0.48) LMNAPRSS1PRSS2PRSS3OPRM1
SCHEMBL12809112 0.78 LMNA (0.48) LMNAPRSS1PRSS2PRSS3OPRM1
SCHEMBL9438365 0.78 LMNA (0.43) LMNAPRSS1PRSS2PRSS3OPRM1
SCHEMBL5161833 0.78 LMNA (0.43) LMNAPRSS1PRSS2PRSS3OPRM1
SCHEMBL9438205 0.78 LMNA (0.43) LMNAPRSS1PRSS2PRSS3OPRM1

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-0753500-B1 Process for producing ether compound KAO CORP (JP) 2007-03-07 EP disclosed