SCHEMBL9720636

SCHEMBL9720636

CCC(=O)c1cc(Cl)ccc1OC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
ALDH1A1 P00352 5/20 0.58
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 3/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HMGCR P04035 1/20 0.53
KCNMA1 Q12791 2/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
DNMT3A Q9Y6K1 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL14946906 0.87 LMNA (0.61) LMNAALDH1A1TSHRMAPK1MAPT
SCHEMBL10552875 0.86 LMNA (0.60) LMNAALDH1A1TSHRMAPK1MAPT
SCHEMBL4854078 0.86 HMGCR (0.53) LMNAALDH1A1TSHRMAPTGAA
SCHEMBL20247900 0.85 LMNA (0.59) LMNAALDH1A1TSHRMAPK1MAPT
SCHEMBL2308262 0.85 LMNA (0.59) LMNAALDH1A1TSHRMAPK1MAPT
Hydrochloric Acid SCHEMBL3054376 0.83 LMNA (0.57) LMNAALDH1A1TSHRMAPK1MAPT
SCHEMBL28075880 0.83 LMNA (0.61) LMNAALDH1A1TSHRMAPK1MAPT
SCHEMBL6358441 0.82 MAPT (0.60) LMNAALDH1A1TSHRMAPTGAA
SCHEMBL9579295 0.82 HMGCR (0.56) LMNAALDH1A1TSHRMAPTGAA
SCHEMBL5056515 0.82 LMNA (0.56) LMNAALDH1A1TSHRMAPK1MAPT

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
CN-101203500-B Substituted arylamine compounds and their use as 5-HT6Use of modulators GALENEA CORP 2013-08-21 CN disclosed
CN-101203500-A Substituted arylamine compounds and their use as 5-HT6Use of modulators EPIX DELAWARE INC (US) 2008-06-18 CN disclosed
US-5103022-A Reacting dl-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino -1-propanone with l-acetylphenylglycine to form corresponding diastereomeric salt, deposition, isolation of l-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino-1-propanone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-04-07 US disclosed
US-5057535-A Muscle relaxants NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-10-15 US disclosed
EP-0200942-A2 New derivatives of an aminoketone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1986-11-12 EP disclosed