SCHEMBL8469504

SCHEMBL8469504

CC=C(NCCCCCCCCCCCCCCCCCC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.50
FAAH O00519 3/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
CASP2 P42575 1/20 0.46
TSHR P16473 1/20 0.43
ACHE P22303 5/20 0.43
NAAA Q02083 1/20 0.43

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
SCHEMBL10899308 0.93 ACHE (0.48) EPHX1FAAHACHE
SCHEMBL11408936 0.82 EPHX1 (0.57) EPHX1FAAHZDHHC20ZDHHC2CASP2
SCHEMBL15682714 0.82 EPHX1 (0.57) EPHX1FAAHZDHHC20ZDHHC2CASP2
SCHEMBL2487820 0.82 EPHX1 (0.57) EPHX1FAAHZDHHC20ZDHHC2CASP2
SCHEMBL9408944 0.80 EGLN1 (0.57) EPHX1FAAHZDHHC20ZDHHC2CASP2
SCHEMBL8081528 0.77 EGLN1 (0.44) TSHR
SCHEMBL8081526 0.77 EGLN1 (0.44) TSHR
SCHEMBL7973682 0.77 HPGD (0.40)
SCHEMBL28492140 0.76 FAAH (0.51) EPHX1FAAHZDHHC20ZDHHC2CASP2
SCHEMBL2987259 0.76 EPHX1 (0.70) EPHX1ACHE

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
WO-1999043666-A1 PHOTOCHROMATIC COMPOSITIONS ENDOWED WITH LIGHT FATIGUE RESISTANCE AND PHOTOCHROMATIC ARTICLES CONTAINING THEM GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) 1999-09-02 WO disclosed