SCHEMBL9118516

SCHEMBL9118516

[CH2]CC(=O)Cc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
ALOX5 P09917 1/20 0.46
EPHX2 P34913 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 2/20 0.41
POLB P06746 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PTPN7 P35236 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GLS O94925 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7087548 0.89 ALDH1A1 (0.52) ALDH1A1ALOX5EPHX2TDP1HPGD
Charcoal, Activated SCHEMBL31384356 0.87 ALDH1A1 (0.50) ALDH1A1ALOX5EPHX2TDP1HPGD
SCHEMBL27512354 0.83 ALDH1A1 (0.47) ALDH1A1ALOX5EPHX2TDP1HPGD
SCHEMBL28415854 0.82 ALDH1A1 (0.50) ALDH1A1ALOX5EPHX2TDP1HPGD
Furan SCHEMBL29001010 0.82 ALDH1A1 (0.46) ALDH1A1ALOX5EPHX2TDP1HPGD
SCHEMBL11329486 0.82 ALDH1A1 (0.50) ALDH1A1ALOX5EPHX2TDP1HPGD
SCHEMBL11868960 0.81
SCHEMBL27567831 0.80 TSHR (0.46) ALDH1A1ALOX5EPHX2TDP1HPGD
SCHEMBL28852631 0.80 ALDH1A1 (0.49) ALDH1A1ALOX5EPHX2TDP1HPGD
SCHEMBL1256721 0.79 ALDH1A1 (0.51) ALDH1A1POLBKDM4EMAPTHSD17B10

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
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO disclosed
EP-0442466-B1 Thermal transfer recording sheet and ink composition for producing the same MITSUBISHI CHEM IND (JP) 1995-01-18 EP disclosed
US-5246911-A Binder and pyridone type azo dye MITSUBISHI KASEI CORPORATION (JP) 1993-09-21 US disclosed
US-5189008-A Containing pyridone-type azo dye MITSUBISHI KASEI CORPORATION (JP) 1993-02-23 US disclosed
EP-0442466-A1 Thermal transfer recording sheet and ink composition for producing the same Mitsubishi Chemical Corporation (JP) 1991-08-21 EP disclosed
EP-0441396-A1 Thermal transfer recording sheet and ink composition for producing the same MITSUBISHI KASEI CORPORATION (JP) 1991-08-14 EP disclosed