SCHEMBL6901291

SCHEMBL6901291

C[P+](C)(C)C.C[P+](C)(C)C.[O-]P([O-])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 1/20 0.50
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
TAAR1 Q96RJ0 5/20 0.37
SLC6A2 P23975 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
GAA P10253 1/20 0.34

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
SCHEMBL10690688 0.85 CYP3A4 (0.59) TDP1CYP3A4ESR1ESR2TAAR1
SCHEMBL912567 0.85 CYP3A4 (0.59) TDP1CYP3A4ESR1ESR2TAAR1
Lithium Ion SCHEMBL912413 0.85 CYP3A4 (0.59) TDP1CYP3A4ESR1ESR2TAAR1
Zinc Ion SCHEMBL28779740 0.85 CYP3A4 (0.59) TDP1CYP3A4ESR1ESR2KDM4E
Potassium Ion SCHEMBL911352 0.85 CYP3A4 (0.59) TDP1CYP3A4ESR1ESR2TAAR1
SCHEMBL28772167 0.85 CYP3A4 (0.59) TDP1CYP3A4ESR1ESR2TAAR1
Tetramethylammonium Ion SCHEMBL7643189 0.83 TDP1 (0.50) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL11429108 0.82 CYP3A4 (0.56) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL7181587 0.79 TDP1 (0.46) TDP1CYP3A4ESR1ESR2KDM4E
Tetraphenylphosphonium SCHEMBL7179664 0.79 CYP3A4 (0.46) TDP1CYP3A4ESR1ESR2KDM4E

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
US-20040147655-A1 Aromatic polycarbonate resin composition TEIJIN LIMITED (JP) 2004-07-29 US disclosed
EP-1275694-A1 AROMATIC POLYCARBONATE COMPOSITION, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE THEREOF TEIJIN LIMITED (JP) 2003-01-15 EP disclosed
US-20020103328-A1 Aromatic polycarbonate composition, production process therefor and molded product thereof TEIJIN LIMITED 2002-08-01 US disclosed