SCHEMBL7967332

SCHEMBL7967332

CC(OC(C)c1cc2cccc(OCC(=O)O)c2o1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ADORA2A P29274 3/20 0.47
ADORA3 P0DMS8 2/20 0.47
ADORA1 P30542 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTGIR P43119 9/20 0.43
TBXA2R P21731 7/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR2 P34972 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
SCHEMBL7958975 0.74 KDM4E (0.46) ADORA2AADORA3ADORA1KDM4EALDH1A1
SCHEMBL7948818 0.74 KDM4E (0.45) MAPTADORA2AADORA3ADORA1KDM4E
SCHEMBL7956256 0.72 PTGIR (0.45) ADORA2AADORA3ADORA1KDM4EALDH1A1
SCHEMBL4516388 0.70 ADORA3 (0.41) MAPTMEN1KMT2AADORA2AADORA3
SCHEMBL4516383 0.70 ADORA3 (0.41) MAPTMEN1KMT2AADORA2AADORA3
SCHEMBL4516375 0.70 ADORA3 (0.41) MAPTMEN1KMT2AADORA2AADORA3
SCHEMBL7958318 0.70 PTGIR (0.43) ADORA2AADORA3ADORA1KDM4EALDH1A1
SCHEMBL10507560 0.70 ALDH1A1 (0.49) MEN1KMT2AADORA2AADORA3ADORA1
SCHEMBL7958971 0.70 ALDH1A1 (0.49) MEN1KMT2AADORA2AADORA3ADORA1
SCHEMBL7956745 0.69 PTGIR (0.47) ADORA2AADORA3ADORA1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed