SCHEMBL8567329

SCHEMBL8567329

CC(O)C(C)c1ccccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.62
GABRB2 P47870 2/20 0.62
TSHR P16473 5/20 0.56
POLB P06746 2/20 0.44
LMNA P02545 3/20 0.41
CA2 P00918 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
BLM P54132 2/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CA12 O43570 1/20 0.41
GMNN O75496 1/20 0.41
EGFR P00533 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL11597764 0.87 GABRA1 (0.71) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL3415686 0.83 GABRA1 (0.65) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL31340010 0.80 GABRA1 (0.68) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL570520 0.80 GABRA1 (0.68) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL8142438 0.79 GABRA1 (0.54) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL2022379 0.77 GABRA1 (0.58) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL2019469 0.77 GABRA1 (0.58) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL51565 0.77 GABRA1 (0.71) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL29440398 0.77 GABRA1 (0.71) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL15485453 0.77 GABRA1 (1.00) GABRA1GABRB2TSHRPOLBLMNA

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-0429614-B1 AZOPHENYL COMPOUNDS JAMES ROBINSON LTD (GB) 1995-10-11 EP claimed
WO-1990015850-A1 AZOPHENYL COMPOUNDS JAMES ROBINSON LIMITED (GB) 1990-12-27 WO claimed
US-5719270-A DYES, INTERMEDIATES PARTINGTON STEVEN MICHAEL (GB) 1998-02-17 US disclosed
EP-0429614-B1 AZOPHENYL COMPOUNDS JAMES ROBINSON LTD (GB) 1995-10-11 EP disclosed