SCHEMBL13656117

SCHEMBL13656117

CP(C)(=O)CP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
ALPG P10696 1/20 0.52
ALOX12 P18054 1/20 0.52
NPY1R P25929 1/20 0.52
HTT P42858 1/20 0.52
NPY2R P49146 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
USP2 O75604 1/20 0.50
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CFTR P13569 1/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL5570426 0.87 ALDH1A1 (0.64) ALDH1A1MAPTGAAALPGALOX12
SCHEMBL4401126 0.79 GAA (0.59) ALDH1A1MAPTGAAALPGALOX12
Oxalic Acid SCHEMBL8719358 0.78 USP2 (0.64) ALDH1A1MAPTGAAALPGALOX12
SCHEMBL13713962 0.77 ALDH1A1 (0.48) ALDH1A1MAPTGAAALPGALOX12
SCHEMBL777736 0.75 ALDH1A1 (0.59) ALDH1A1MAPTGAAALPGALOX12
SCHEMBL5836386 0.74 ALDH1A1 (0.50) ALDH1A1MAPTGAAALPGALOX12
SCHEMBL2381086 0.74 ALDH1A1 (0.77) ALDH1A1MAPTGAAALPGALOX12
SCHEMBL115791 0.73 ESR1 (0.71) ALDH1A1MAPTGAAALPGALOX12
SCHEMBL518265 0.73 CYP3A4 (0.68) ALDH1A1MAPTGAAALPGALOX12
SCHEMBL755028 0.73 CYP3A4 (0.68) ALDH1A1MAPTGAAALPGALOX12

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-2110416-A2 Dispersion of water-insoluble colorant, method of producing substance containing water-insoluble colorant, fine particles of water-insoluble colorant, dispersing agent for water-insoluble colorant, and recording liquid, ink set, printed article, method of forming image and image forming apparatus using the same Fujifilm Corporation (JP) 2009-10-21 EP disclosed
US-20090246481-A1 DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20090246481-A1 DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed