SCHEMBL4713164

SCHEMBL4713164

CCc1cccc2c1OC1C(OC(=O)O)Nc3cc(Cl)cc(Cl)c3C21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GAPDH P04406 1/20 0.32
▸ HSPA1A P0DMV8 1/20 0.32
▸ HSPA8 P11142 1/20 0.32

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
SCHEMBL4713720 0.90 GAPDH (0.35) GAPDHHSPA1AHSPA8
SCHEMBL4712066 0.89 CYP3A4 (0.35) GAPDHHSPA1AHSPA8
SCHEMBL4714145 0.88 GAPDH (0.33) GAPDHHSPA1AHSPA8
SCHEMBL4715645 0.86 GAPDH (0.33) GAPDHHSPA1AHSPA8
SCHEMBL4715612 0.86 GAPDH (0.33) GAPDHHSPA1AHSPA8
SCHEMBL4712218 0.85 GAPDH (0.33) GAPDHHSPA1AHSPA8
SCHEMBL4711434 0.85 GAPDH (0.43) GAPDHHSPA1AHSPA8
SCHEMBL4712096 0.82 MEN1 (0.36) GAPDHHSPA1AHSPA8
Potassium Ion SCHEMBL5355686 0.82 GAPDH (0.35) GAPDHHSPA1AHSPA8
SCHEMBL6823271 0.79 GAPDH (0.35) GAPDHHSPA1AHSPA8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412361-B1 SUBSTITUTED 5,6,6A,11B-TETRAHYDRO-7-OXA-5-AZA-BENZO[C]FLUORENE-6-CARBOXYLIC ACID DERIVATIVES SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2008-07-23 — — EP claimed
EP-1412361-B1 SUBSTITUTED 5,6,6A,11B-TETRAHYDRO-7-OXA-5-AZA-BENZO[C]FLUORENE-6-CARBOXYLIC ACID DERIVATIVES SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2008-07-23 — — EP disclosed
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