SCHEMBL7781927

SCHEMBL7781927

CCc1ccccc1C1(C)OC(=O)C(=[N+]=[N-])C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
PDK2 Q15119 2/20 0.37
HDAC4 P56524 1/20 0.34
MGLL Q99685 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7789544 0.76 CYP2D6 (0.44) CYP2D6PDK2HDAC4MGLLSMN1; SMN2
SCHEMBL10926238 0.75 SIRT1 (0.46) SMN1; SMN2
SCHEMBL8749165 0.69 PTPN1 (0.41)
SCHEMBL7789545 0.67 PTPN1 (0.39) SMN1; SMN2
SCHEMBL8749219 0.64 ELANE (0.34)
SCHEMBL8123326 0.64 CYP2D6 (0.45) CYP2D6PDK2HDAC4MGLLSMN1; SMN2
SCHEMBL1617397 0.61 CYP2D6 (0.42) CYP2D6PDK2HDAC4MGLLSMN1; SMN2
SCHEMBL11253677 0.61 PTPN1 (0.42)
SCHEMBL30171122 0.61 CYP2D6 (0.42) CYP2D6PDK2HDAC4MGLLSMN1; SMN2
Methylamine SCHEMBL27540110 0.59 GABRA1 (0.52) CYP2D6MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799716-B1 Diazo compounds for laser-induced mass transfer imaging materials MINNESOTA MINING & MFG (US) 2001-11-07 EP disclosed
US-5756689-A SENSITIZERS; COMPOUNDS STABILIZED BY CERTAIN FUNCTIONAL GROUPS ADJACENT TO THE DIAZO SUBSTITUENT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-05-26 US disclosed
US-5691098-A WITH STABILIZING ELECTRON WITHDRAWING GROUP MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-11-25 US disclosed
EP-0799716-A2 Diazo compounds for laser-induced mass transfer imaging materials MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-08 EP disclosed
US-5627006-A ALKENYLOXY-SUBSTITUTED POLYVINYLPHENOLS, PHOTOSENSITIVE ACID GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-06 US disclosed
EP-0552548-B1 Resist material WAKO PURE CHEM IND LTD (JP) 1997-03-19 EP disclosed
EP-0552548-A1 Resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1993-07-28 EP disclosed