SCHEMBL8107293

SCHEMBL8107293

CC(=O)Oc1ccc(-c2cc3ccc(OC(C)=O)c(OC(C)=O)c3oc2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 8/20 1.00
▸ ADORA2A P29274 8/20 0.80
▸ ADORA1 P30542 4/20 0.80
▸ TMIGD3 P0DMS9 4/20 0.69
▸ GAPDH P04406 5/20 0.62
▸ MAOB P27338 1/20 0.58
▸ MEN1 O00255 2/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ BACE1 P56817 1/20 0.45

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
SCHEMBL8123473 0.93 ADORA3 (0.86) ADORA3ADORA2AADORA1TMIGD3GAPDH
SCHEMBL8116456 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1TMIGD3GAPDH
SCHEMBL8115882 0.89 ADORA3 (0.80) ADORA3ADORA2AADORA1TMIGD3GAPDH
SCHEMBL8122887 0.89 ADORA3 (0.80) ADORA3ADORA2AADORA1TMIGD3GAPDH
SCHEMBL8115217 0.89 ADORA3 (0.80) ADORA3ADORA2AADORA1TMIGD3GAPDH
SCHEMBL8116819 0.88 ADORA3 (0.80) ADORA3ADORA2AADORA1TMIGD3GAPDH
SCHEMBL28585336 0.85 ADORA3 (0.74) ADORA3ADORA2AADORA1TMIGD3GAPDH
SCHEMBL8116146 0.85 ADORA3 (0.73) ADORA3ADORA2AADORA1TMIGD3GAPDH
SCHEMBL8117382 0.82 ADORA2A (0.78) ADORA3ADORA2AADORA1TMIGD3GAPDH
SCHEMBL8124511 0.81 ADORA2A (0.77) ADORA3ADORA2AADORA1TMIGD3GAPDH

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
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