SCHEMBL6854556

SCHEMBL6854556

O=C(O)Oc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(OC(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 17/20 0.47
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 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
SCHEMBL6854533 1.00 PDK2 (0.47) PDK2THRBTDP1MEN1USP2
SCHEMBL6854806 1.00 PDK2 (0.47) PDK2THRBTDP1MEN1USP2
SCHEMBL6859729 0.91 PDK2 (0.39) PDK2TDP1MEN1USP2ALDH1A1
SCHEMBL1355713 0.89 MAPT (0.51) PDK2MEN1USP2ALDH1A1LMNA
SCHEMBL1116239 0.85 PDK2 (0.46) PDK2THRBTDP1
SCHEMBL1116178 0.85 KMT2A (0.50) PDK2MEN1KMT2A
SCHEMBL29182587 0.78 PDK2 (0.43) PDK2THRBTDP1MEN1LMNA
Phosphine SCHEMBL23633149 0.77 PDK2 (0.53) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL7810593 0.76 KDM4E (0.36) PDK2MAPT
SCHEMBL4853061 0.76 MAPT (0.45) PDK2THRBTDP1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0935691-B1 OPTICAL BRIGHTENING AGENT COVION ORGANIC SEMICONDUCTORS (DE) 2004-05-26 EP disclosed
EP-0676461-B1 Spiro compounds and their application as electroluminescence materials COVION ORGANIC SEMICONDUCTORS (DE) 2002-08-14 EP disclosed
EP-0968175-B1 SPIRO COMPOUNDS AND THE USE THEREOF CELANESE VENTURES GMBH (DE) 2001-12-12 EP disclosed
EP-0968175-A1 SPIRO COMPOUNDS AND THE USE THEREOF Aventis Research & Technologies GmbH & Co KG (DE) 2000-01-05 EP disclosed
EP-0935691-A1 OPTICAL BRIGHTENING AGENT Aventis Research & Technologies GmbH & Co. KG (DE) 1999-08-18 EP disclosed
WO-1998042655-A1 SPIRO COMPOUNDS AND THE USE THEREOF AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-10-01 WO disclosed
WO-1998018996-A1 OPTICAL BRIGHTENING AGENT AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-05-07 WO disclosed
EP-0676461-A2 Spiro compounds and their application as electroluminescence materials HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-11 EP disclosed