SCHEMBL8123765

SCHEMBL8123765

CC(=O)Oc1ccc2c(-c3ccccc3)c(-c3ccccc3)c(=O)oc2c1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.60
ADORA2A P29274 4/20 0.60
ADORA1 P30542 2/20 0.60
KDM4E B2RXH2 5/20 0.57
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 2/20 0.57
HPGD P15428 1/20 0.57
MPI P34949 1/20 0.57
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TMIGD3 P0DMS9 2/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43

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
SCHEMBL7912397 0.91 ADORA3 (0.59) ADORA3ADORA2AADORA1KDM4EMAPT
SCHEMBL7941853 0.84 KDM4E (0.69) ADORA3ADORA2AADORA1KDM4EMAPT
SCHEMBL6617327 0.80 MAPT (0.60) ADORA3ADORA2AADORA1KDM4EMAPT
SCHEMBL30233473 0.80 MAPT (0.60) ADORA3ADORA2AADORA1KDM4EMAPT
SCHEMBL9319149 0.75 KDM4E (0.55) ADORA3ADORA2AADORA1KDM4EMAPT
SCHEMBL18241777 0.73 ADORA3 (0.49) ADORA3KDM4EMAPTALDH1A1LMNA
SCHEMBL27459594 0.73 KDM4E (0.55) ADORA3ADORA2AADORA1KDM4EMAPT
SCHEMBL12941614 0.72 GAA (0.58) ADORA3ADORA2AADORA1KDM4EMAPT
SCHEMBL3052874 0.71 KDM4E (0.68) KDM4EMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL18241794 0.71 ADORA3 (0.47) ADORA3ADORA2AADORA1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0645382-B1 COUMARIN DERIVATIVE AND USE THEREOF MORINAGA MILK INDUSTRY CO LTD (JP) 2000-07-12 EP disclosed
US-5574062-A COMPOUNDS HAVE 3-ARYL AND 7-HYDROXY OR -ACYLOXY; USE TO INHIBIT 12-LIPOXYGENASE MORINAGA MILK INDUSTRY CO., LTD. (JP) 1996-11-12 US disclosed
EP-0645382-A1 COUMARIN DERIVATIVE AND USE THEREOF MORINAGA MILK INDUSTRY CO., LTD. (JP) 1995-03-29 EP disclosed