SCHEMBL5538790

SCHEMBL5538790

SC1=CCc2cccc3cccc1c23

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 7/20 0.44
TYMS P04818 5/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 1/20 0.44
PARP1 P09874 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 4/20 0.41
CYP3A4 P08684 3/20 0.41
MAPK1 P28482 3/20 0.39
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CES2 O00748 1/20 0.37
BCHE P06276 1/20 0.37
CES1 P23141 1/20 0.37
MCL1 Q07820 1/20 0.37
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35

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
SCHEMBL27807088 0.79 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHSD17B10TYMS
SCHEMBL10532536 0.78 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10TYMS
SCHEMBL27915635 0.78 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10TYMS
SCHEMBL28945839 0.78 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHSD17B10TYMS
SCHEMBL28352725 0.78 HSD17B10 (0.50) ALDH1A1HPGDKDM4EHSD17B10TYMS
SCHEMBL23611267 0.78 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10TYMS
SCHEMBL15967962 0.78 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10TYMS
SCHEMBL9625185 0.78 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10TYMS
SCHEMBL4448887 0.75 HTR6 (0.41) TSHRBCHECES1
SCHEMBL23234268 0.75 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHSD17B10TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856188-A1 SULFONATED POLY(ARYLENES) AS HYDROLYTICALLY AND THERMO-OXIDATIVELY STABLE POLYMERS MPG Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2007-11-21 EP disclosed
WO-2006094767-A1 SULFONATED POLY(ARYLENES) AS HYDROLYTICALLY AND THERMO-OXIDATIVELY STABLE POLYMERS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2006-09-14 WO disclosed