SCHEMBL13622394

SCHEMBL13622394

CC(=O)c1ccccc1C(=O)c1ccc(C)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.72
TDP1 Q9NUW8 1/20 0.65
ALDH1A1 P00352 4/20 0.58
LMNA P02545 2/20 0.58
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
SRD5A2 P31213 2/20 0.50
MAPT P10636 2/20 0.49
CDC25B P30305 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.47
NR4A1 P22736 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL11189754 0.92 AKR1C3 (0.84) AKR1C3TDP1ALDH1A1LMNACES2
SCHEMBL28384877 0.88 AKR1C3 (0.85) AKR1C3TDP1ALDH1A1LMNACES2
SCHEMBL822891 0.85 AKR1C3 (0.68) AKR1C3TDP1ALDH1A1MAPTCDC25B
SCHEMBL27537001 0.84 LIG1 (0.66) AKR1C3TDP1ALDH1A1LMNACES2
SCHEMBL29701296 0.84 AKR1C3 (1.00) AKR1C3TDP1ALDH1A1LMNACES2
SCHEMBL503364 0.84 AKR1C3 (1.00) AKR1C3TDP1ALDH1A1LMNACES2
Water SCHEMBL27624557 0.83 AKR1C3 (0.65) AKR1C3TDP1ALDH1A1MAPTCDC25B
Ethane SCHEMBL27457042 0.83 AKR1C3 (0.65) AKR1C3TDP1ALDH1A1MAPTCDC25B
Methane SCHEMBL27433583 0.83 AKR1C3 (0.65) AKR1C3TDP1ALDH1A1MAPTCDC25B
SCHEMBL4639275 0.82 AKR1C3 (0.70) AKR1C3TDP1ALDH1A1LMNACES2

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
US-20170043931-A1 USE OF PROTECTED N-HYDROXYIMIDE DERIVATES AND TRANSITION METAL AS OXYGEN SCAVENGER SYSTEM IN TRANSPARENT POLYOLEFIN FILMS BASF SE (DE) 2017-02-16 US disclosed
US-9505541-B2 Use of protected N-hydroxyimide derivates and transition metal as oxygen scavenger system in transparent polyolefin films BASF SE (DE) 2016-11-29 US disclosed
US-20150217923-A1 USE OF PROTECTED N-HYDROXYIMIDE DERIVATES AND TRANSITION METAL AS OXYGEN SCAVENGER SYSTEM IN TRANSPARENT POLYOLEFIN FILMS BASF SE (DE) 2015-08-06 US disclosed
US-20130023609-A1 Use of protected N-hydroxyimide derivates and transition metal as oxygen scavenger system in transparent polyolefin films BASF SE (DE) 2013-01-24 US disclosed
US-20090286060-A1 Degradable polymer article CIBA CORP. 2009-11-19 US disclosed