SCHEMBL8541016

SCHEMBL8541016

Nc1ccc(CC2OCCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.43
ALDH1A1 P00352 2/20 0.42
GFER P55789 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
MAPT P10636 2/20 0.41
CYP26A1 O43174 2/20 0.39
TBXA2R P21731 1/20 0.37
MAOB P27338 4/20 0.37
MAOA P21397 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FDPS P14324 1/20 0.34
GSK3B P49841 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
SCHEMBL21155257 0.80 ESR1 (0.44) ALDH1A1CYP26A1
SCHEMBL14166113 0.80 TSHR (0.39) TSHR
SCHEMBL27950337 0.78
SCHEMBL21154704 0.78 ALDH1A1 (0.40) ALDH1A1TSHRMEN1KMT2A
SCHEMBL7393096 0.78 HTR2A (0.37) MAPTMEN1KMT2A
SCHEMBL29911017 0.78 LPL (0.40) ALDH1A1
SCHEMBL29910933 0.78 CA1 (0.38)
SCHEMBL22722 0.77 GBA1 (0.42) TSHR
SCHEMBL3950312 0.76 MAOB (0.46) ALDH1A1CYP3A4TDP1MAPTMAOB
SCHEMBL31207294 0.76 ALDH1A1 (0.44) HTR6ALDH1A1GFERCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512074-B1 MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS SCRIPPS RESEARCH INST (US) 1998-07-22 EP disclosed
EP-0512074-A4 MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS 1993-07-14 EP disclosed
US-5187086-A Molecules with antibody combining sites that catalyze hydrolysis reactions through use of a charged hapten SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-02-16 US disclosed
EP-0512074-A1 MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1992-11-11 EP disclosed
WO-1991011512-A1 MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-08-08 WO disclosed