SCHEMBL872880

SCHEMBL872880

COCCOS(=O)(=O)c1cc(O)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 4/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ESR2 Q92731 2/20 0.39
ESR1 P03372 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 3/20 0.37
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
PTGS1 P23219 1/20 0.34
RECQL P46063 2/20 0.33
CYP3A4 P08684 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33

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
SCHEMBL8795201 0.94 GAA (0.45) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL2347168 0.87 ALDH1A1 (0.43) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL11385199 0.87 ALDH1A1 (0.43) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL11446428 0.84 ALDH1A1 (0.41) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL8459792 0.83 ALDH1A1 (0.44) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL643099 0.82 ALDH1A1 (0.42) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL9009542 0.82 TYR (0.40) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL18725939 0.80 ALDH1A1 (0.40) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL6956315 0.78 PRMT5 (0.47) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL9813093 0.77 ALDH1A1 (0.36) ALDH1A1GAAPKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619590-A2 COMPOUNDS FOR DIAGNOSING NEURODEGENERATIVE DISEASES AT THE RETINA Technische Universität Darmstadt (DE) 2013-07-31 EP disclosed
EP-2619591-A2 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM Technische Universität Darmstadt (DE) 2013-07-31 EP disclosed
WO-2012041292-A2 COMPOUNDS FOR DIAGNOSING NEURODEGENERATIVE DISEASES AT THE RETINA KLINIKUM DARMSTADT GMBH (DE) 2012-04-05 WO disclosed
WO-2012037928-A2 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM KLINIKUM DARMSTADT GMBH (DE) 2012-03-29 WO disclosed