SCHEMBL27745332

SCHEMBL27745332

C=C(C=O)Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 3/20 0.40
HPGD P15428 2/20 0.40
ALOX5 P09917 1/20 0.40
USP2 O75604 1/20 0.40
CHRM2 P08172 1/20 0.38
EPHX2 P34913 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
TSHR P16473 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL28910735 0.82 ALDH1A1 (0.44) ALDH1A1TDP1HPGDALOX5USP2
SCHEMBL9055646 0.78 ALDH1A1 (0.46) ALDH1A1TDP1HPGDALOX5EPHX2
SCHEMBL11144414 0.76 ALDH1A1 (0.43) ALDH1A1TDP1HPGDALOX5CHRM2
SCHEMBL11144404 0.76 ALDH1A1 (0.43) ALDH1A1TDP1HPGDALOX5CHRM2
SCHEMBL2596787 0.75
SCHEMBL10368385 0.74
SCHEMBL11868960 0.74
SCHEMBL4113864 0.73 ALDH1A1 (0.44) ALDH1A1TDP1HPGDALOX5USP2
SCHEMBL2788840 0.73 ALDH1A1 (0.44) ALDH1A1TDP1ALOX5EPHX2L3MBTL1
SCHEMBL7087548 0.73 ALDH1A1 (0.52) ALDH1A1TDP1HPGDALOX5EPHX2

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-105348231-A 2,4-pentadiene-1-alcohol compound as well as preparation method and application thereof UNIV XIHUA 2016-02-24 CN claimed
CN-105348231-A 2,4-pentadiene-1-alcohol compound as well as preparation method and application thereof UNIV XIHUA 2016-02-24 CN disclosed
CN-104968668-A Solid polyaluminoxane composition, catalyst for olefin polymerization, method for producing olefin polymer, and method for producing solid polyaluminoxane composition MITSU CHEMICALS INC 2015-10-07 CN disclosed
CN-103435609-B Copper-catalyzed synthetic method of imidazo[1,2-a]pyridine-3-formaldehyde compound UNIV NORTHEAST NORMAL 2015-06-03 CN disclosed
CN-103435609-A Copper-catalyzed synthetic method of imidazo[1,2-a]pyridine-3-formaldehyde compound UNIV NORTHEAST NORMAL 2013-12-11 CN disclosed
CN-101293884-A (1S,2S)-1-(2-furyl)-1,2-propylene glycol or its analogue, preparation and application thereof UNIV JIANGNAN (CN) 2008-10-29 CN disclosed
CN-101293883-A (1R)-1-(2-furfuran)-1-hydroxyl-2-acetone or its analogue, preparation and application thereof UNIV JIANGNAN (CN) 2008-10-29 CN disclosed