SCHEMBL6535223

SCHEMBL6535223

COc1ccc(Oc2c(I)cc(CO)cc2I)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 12/20 0.49
LIG1 P18858 1/20 0.49
THRB P10828 4/20 0.43
THRA P10827 3/20 0.43
RXRA P19793 2/20 0.43
PPARG P37231 2/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CYP2C9 P11712 1/20 0.43
GABRA1 P14867 1/20 0.43
HPGD P15428 1/20 0.43
HTR2A P28223 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
SCHEMBL4005004 0.84 PCNA (0.66) PCNALIG1THRBTHRARXRA
SCHEMBL7937662 0.83 PCNA (0.47) PCNALIG1THRBTHRARXRA
SCHEMBL4428790 0.81 THRB (0.52) PCNATHRBTHRARXRAPPARG
SCHEMBL14484752 0.81 THRA (0.68) PCNATHRBTHRARXRAPPARG
SCHEMBL5014840 0.80 PCNA (0.44) PCNALIG1THRBTHRARXRA
SCHEMBL5742498 0.80 PCNA (0.53) PCNATHRBTHRARXRAPPARG
SCHEMBL4008223 0.79 THRB (0.63) THRBTHRARORC
SCHEMBL28223321 0.79 MAPT (0.50) THRBTHRARXRAPPARGLMNA
SCHEMBL14485308 0.79 PCNA (0.77) PCNATHRBTHRARXRAPPARG
SCHEMBL7087278 0.78 THRB (0.68) PCNATHRBTHRARXRAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003498-A4 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS BIOSOURCE TECH INC (US) 2004-07-14 EP disclosed
US-6169104-B1 COMPOUNDS BIND TUBULIN AND EXHIBIT ANTI-MITOTIC PROPERTIES; USING SUCH COMPOUNDS TO INHIBIT ABNORMAL CELL MITOSIS AND, IN PARTICULAR, TO INHIBIT TUMOR CELL GROWTH LARGE SCALE BIOLOGY CORPORATION 2001-01-02 US disclosed
EP-1003498-A1 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS Biosource Technologies, Inc. (US) 2000-05-31 EP disclosed
WO-1998042328-A1 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS BIOSOURCE TECHNOLOGIES, INC. (US) 1998-10-01 WO disclosed