SCHEMBL6316378

SCHEMBL6316378

Cc1cc(O)c(C(C)(C)C)cc1NC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
ALOX15 P16050 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 3/20 0.47
CYP3A4 P08684 3/20 0.47
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 2/20 0.47
HIF1A Q16665 2/20 0.47
MAPT P10636 3/20 0.47
CYP1A2 P05177 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ATP2A2 P16615 1/20 0.47
ATP2A3 Q93084 1/20 0.47
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 3/20 0.37
HPGD P15428 1/20 0.37
KDM5A P29375 2/20 0.37

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
SCHEMBL12288085 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL3251629 0.80 GAA (0.45) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL2741246 0.78 ALOX15 (0.54) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL21568087 0.77 ALOX15 (0.49) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL6315679 0.75 MAPT (0.37) MAPK1MAPTNPSR1
SCHEMBL6296216 0.73 ALDH1A1 (0.52) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL29872633 0.72 ALOX15 (0.70) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL395984 0.72 ALOX15 (0.70) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL6315669 0.71 NPSR1 (0.39) ALDH1A1SMN1; SMN2TP53MAPK1TSHR
SCHEMBL20147097 0.71 KDM5A (0.40) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4

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
US-6872718-B1 Tricyclic dihydrobenzofuran derivatives, process for the preparation thereof and agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
EP-1211253-B1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-10-13 EP disclosed
EP-1456172-A1 PYRROLIDINE-2-ONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-09-15 EP disclosed
WO-2003053925-A1 PYRROLIDINE-2-ONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-07-03 WO disclosed