SCHEMBL27299209

SCHEMBL27299209

C=C=C1CC=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.32
PTPRC P08575 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
IDO1 P14902 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
PTPN1 P18031 1/20 0.32
ACHE P22303 1/20 0.32
CES1 P23141 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL885315 0.80 CA1 (0.37) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL2319629 0.74 CA1 (0.30) CA1CA2
SCHEMBL251163 0.72 ALDH1A1 (0.35) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL7214854 0.72 ALDH1A1 (0.38) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL11864557 0.71 ALDH1A1 (0.34) CA1CA2ALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL28770397 0.71 MEN1 (0.34) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL2324920 0.68 ALDH1A1 (0.35) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL219752 0.68 TSHR (0.36) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL2926382 0.68 ALDH1A1 (0.35) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL1941287 0.68 ALDH1A1 (0.40) CA1CA2ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101061442-B Hologram recording material NITTO DENKO CORP 2011-02-02 CN disclosed
CN-101061442-A Hologram recording material NITTO DENKO CORP (JP) 2007-10-24 CN disclosed
CN-1649866-A 3-cyclyl-5-(nitrogen-containing 5-membered ring) methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2005-08-03 CN disclosed
CN-1063182-C New aminophenylphosphonic acid compounds, process for preparing them and pharmaceutical compositions containing them ADIR (FR) 2001-03-14 CN disclosed
CN-1035188-C Process for preparing polymer polyols, and polymer polyol so made DOW CHEMICAL CO (US) 1997-06-18 CN disclosed
CN-1145908-A New aminophenylphosphonic acid compounds, process for preparing them and pharmaceutical compositions containing them ADIR (FR) 1997-03-26 CN disclosed
CN-1067059-A Prepare the method for polymer polyatomic alcohol and the polymer polyatomic alcohol that makes thereof DOW CHEMICAL CO (US) 1992-12-16 CN disclosed