SCHEMBL7024432

SCHEMBL7024432

CO[n+]1ccc(-c2ccccc2)cc1.OB(O)Oc1cccc2ccc3cc4ccccc4cc3c12

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
NQO1 P15559 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
Biphenyl SCHEMBL7868144 0.87 CYP1A2 (0.36) RXRAPPARGPPARDPPARANQO1
SCHEMBL19259375 0.83 CYP1A2 (0.41) RXRAPPARGPPARDPPARACDK5
SCHEMBL910685 0.82 RXRA (0.33) RXRAPPARGPPARDPPARANQO1
SCHEMBL19252585 0.81 CYP1A2 (0.40) RXRAPPARGPPARDPPARACDK5
Ammonia Solution, Strong SCHEMBL1035827 0.81 CYP1A2 (0.40) RXRAPPARGPPARDPPARACDK5
SCHEMBL911163 0.81 CYP1A2 (0.40) RXRAPPARGPPARDPPARACDK5
SCHEMBL445634 0.81 CYP1A2 (0.40) RXRAPPARGPPARDPPARACDK5
SCHEMBL1314570 0.81 CYP1A2 (0.40) RXRAPPARGPPARDPPARACDK5
Hydrogen Sulfide SCHEMBL17372873 0.81 CYP1A2 (0.40) RXRAPPARGPPARDPPARACDK5
Phosphine SCHEMBL3288817 0.81 CYP1A2 (0.40) RXRAPPARGPPARDPPARACDK5

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-0672953-B1 Photosensitive recording material, photosensitive recording medium, and process for producing hologram using this photosensitive recording medium TOPPAN PRINTING CO LTD (JP) 2003-01-15 EP disclosed
US-5698345-A CATIONIC POLYMERIZATION OF THERMOSETTING EPOXY OLIGOMER TOPPAN PRINTING CO., LTD. (JP) 1997-12-16 US disclosed
EP-0672953-A2 Photosensitive recording material, photosensitive recording medium, and process for producing hologram using this photosensitive recording medium Toppan Printing Co., Ltd. (JP) 1995-09-20 EP disclosed