SCHEMBL5044071

SCHEMBL5044071

CC(C)COC(=O)CCCBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
EPHX2 P34913 1/20 0.46
TSHR P16473 5/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRKCA P17252 3/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
DGKA P23743 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL21811856 0.94 MAPT (0.52) MAPTEPHX2TSHRLMNAALDH1A1
SCHEMBL23870379 0.92 MAPT (0.55) MAPTEPHX2TSHRLMNAALDH1A1
SCHEMBL25956071 0.92 MAPT (0.55) MAPTEPHX2TSHRLMNAALDH1A1
SCHEMBL1014097 0.89 TSHR (0.43) MAPTEPHX2TSHRLMNAALDH1A1
SCHEMBL356035 0.89 MAPT (0.53) MAPTEPHX2TSHRLMNAALDH1A1
SCHEMBL42941 0.89 MAPT (0.59) MAPTEPHX2TSHRLMNAALDH1A1
SCHEMBL495250 0.86 MAPT (0.62) MAPTEPHX2TSHRLMNAALDH1A1
SCHEMBL496450 0.86 MAPT (0.62) MAPTEPHX2TSHRLMNAALDH1A1
SCHEMBL18786502 0.86 MAPT (0.62) MAPTEPHX2TSHRLMNAALDH1A1
SCHEMBL495197 0.86 MAPT (0.62) MAPTEPHX2TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109503353-B Preparation method of medium-long chain aliphatic carboxylic acid 中国科学技术大学 2020-08-25 CN disclosed
WO-2020054874-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed
WO-2019195641-A2 INHIBITORS OF RHO/MRTF/SRF-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-10 WO disclosed
CN-109503353-A A kind of preparation method of middle long chained fatty carboxylic acid 中国科学技术大学 2019-03-22 CN disclosed
EP-1339669-B1 N-ALKYLATED GABA COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS UCB PHARMA SA (BE) 2008-06-04 EP disclosed
US-7112612-B2 N-alkylated GABA compounds, processes for their preparation and their use as medicaments UCB S.A. (BE) 2006-09-26 US disclosed