SCHEMBL9683369

SCHEMBL9683369

CCC(C)OC(=O)C(Br)CC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
MAPT P10636 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL4246694 0.84 FAAH (0.42) FAAHMAPTZDHHC7ALDH1A1L3MBTL1
SCHEMBL9681621 0.84 TSHR (0.40) FAAHZDHHC7ALDH1A1KMT2ATSHR
SCHEMBL7716571 0.84 FAAH (0.42) FAAHMAPTZDHHC7ALDH1A1L3MBTL1
SCHEMBL5673205 0.84 MAPT (0.40) FAAHMAPTZDHHC7
SCHEMBL6998515 0.82 LCK (0.44) FAAHMAPTZDHHC7ALDH1A1TSHR
SCHEMBL1003789 0.82 ZDHHC7 (0.34) FAAHZDHHC7ALDH1A1KMT2ATSHR
SCHEMBL4679354 0.81 MAPT (0.42) FAAHMAPTALDH1A1L3MBTL1TSHR
SCHEMBL12539123 0.81 MAPT (0.38) FAAHMAPTALDH1A1TSHR
SCHEMBL2222311 0.81 GABRP (0.39) FAAHMAPTZDHHC7
SCHEMBL29302766 0.81 ZDHHC7 (0.36) FAAHZDHHC7ALDH1A1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5154738-A Passing mixture through gas chromatography column having dialkyl trifluoroacyl ether derivative of cyclodextrin, eluting separated compounds ADVANCED SEPARATION TECHNOLOGIES, INC. (US) 1992-10-13 US disclosed
US-5064944-A Gas Chromatography ADVANCED SEPARATION TECHNOLOGIES INC. (US) 1991-11-12 US disclosed