SCHEMBL4712064

SCHEMBL4712064

COc1cccc2c1OC1C(C(=O)O)Nc3cc(Cl)cc(Cl)c3C21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAPDH P04406 2/20 0.42
▸ HSPA1A P0DMV8 2/20 0.42
▸ HSPA8 P11142 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.38
▸ MASP2 O00187 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ JUND P17535 1/20 0.38
▸ TNNI3 P19429 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ PTPN7 P35236 1/20 0.38
▸ TNNT2 P45379 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ FOSB P53539 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ TNNC1 P63316 1/20 0.38

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
SCHEMBL4713073 0.88 GAPDH (0.47) GAPDHHSPA1AHSPA8POLBPTPN7
SCHEMBL4711434 0.87 GAPDH (0.43) GAPDHHSPA1AHSPA8CYP3A4CYP2D6
SCHEMBL4712017 0.87 GAPDH (0.44) GAPDHHSPA1AHSPA8POLBPTPN7
SCHEMBL4712093 0.87 GAPDH (0.44) GAPDHHSPA1AHSPA8POLBPTPN7
SCHEMBL4712066 0.86 CYP3A4 (0.35) GAPDHHSPA1AHSPA8KDM4EMASP2
SCHEMBL4713160 0.85 GAPDH (0.44) GAPDHHSPA1AHSPA8PTPN7CYP3A4
SCHEMBL4715026 0.85 GAPDH (0.44) GAPDHHSPA1AHSPA8POLBPTPN7
SCHEMBL4712217 0.85 GAPDH (0.44) GAPDHHSPA1AHSPA8POLBPTPN7
SCHEMBL14143750 0.83 KDM4E (0.39) GAPDHHSPA1AHSPA8KDM4EMASP2
SCHEMBL6822472 0.81 GAPDH (0.43) GAPDHHSPA1AHSPA8CYP3A4CYP2D6

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-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
US-7199130-B2 Substituted 5,6,6a, 11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRUENENTHAL GMBH (DE) 2007-04-03 — — US disclosed
US-7199130-B2 Substituted 5,6,6a, 11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRUENENTHAL GMBH (DE) 2007-04-03 — — US disclosed
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