SCHEMBL9010606

SCHEMBL9010606

CCCCCCCCCC(=COCCO)C(=O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.43
FAAH O00519 6/20 0.43
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
ESR1 P03372 1/20 0.39
EPHX2 P34913 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SOAT1 P35610 3/20 0.37
SOAT2 O75908 1/20 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
SCHEMBL28615336 0.88 ZDHHC2 (0.46) ZDHHC2FAAHCES2CES1EPHX2
SCHEMBL9063144 0.80 ZDHHC2 (0.51) ZDHHC2FAAHCES2CES1ESR1
SCHEMBL29262323 0.79 TDP1 (0.54) ZDHHC2FAAHCES2CES1TDP1
SCHEMBL28460176 0.78 ZDHHC2 (0.46) ZDHHC2FAAHCES2CES1EPHX2
SCHEMBL31084008 0.77 ZDHHC2 (0.45) ZDHHC2FAAHCES2CES1EPHX2
SCHEMBL29287447 0.77 ZDHHC2 (0.46) ZDHHC2FAAHCES2CES1
SCHEMBL5440629 0.76 ALDH1A1 (0.42) TDP1
SCHEMBL9095454 0.75 CES2 (0.58) ZDHHC2FAAHCES2CES1EPHX2
SCHEMBL1343579 0.75 CES2 (0.58) ZDHHC2FAAHCES2CES1EPHX2
SCHEMBL9095224 0.75 CES2 (0.58) ZDHHC2FAAHCES2CES1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604949-B1 Actinic-radiation-curing hot-melt pressure-sensitive adhesive composition MITSUI TOATSU CHEMICALS (JP) 1996-10-23 EP disclosed
US-5384341-A Melt viscosity stability, coating workability MITSUI TOATSU CHEMICALS, INC. (JP) 1995-01-24 US disclosed
EP-0604949-A2 Actinic-radiation-curing hot-melt pressure-sensitive adhesive composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-07-06 EP disclosed