SCHEMBL7789544

SCHEMBL7789544

CCc1ccccc1C1(C)OC(=O)CC(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
PDK2 Q15119 2/20 0.40
HDAC4 P56524 1/20 0.40
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
MGLL Q99685 1/20 0.33
HTR2A P28223 1/20 0.33
CTSB P07858 1/20 0.33
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 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
SCHEMBL8123326 0.84 CYP2D6 (0.45) CYP2D6PDK2HDAC4LMNAMEN1
SCHEMBL30171122 0.81 CYP2D6 (0.42) CYP2D6PDK2HDAC4LMNAMEN1
SCHEMBL1617397 0.81 CYP2D6 (0.42) CYP2D6PDK2HDAC4LMNAMEN1
SCHEMBL11134355 0.79 HDAC4 (0.37) HDAC4LMNAMEN1MAPTKMT2A
SCHEMBL7781927 0.76 CYP2D6 (0.41) CYP2D6PDK2HDAC4SMN1; SMN2MGLL
SCHEMBL3291202 0.72 SIRT1 (0.46) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL28375340 0.70 CYP2D6 (0.33) CYP2D6HDAC4LMNAMEN1MAPT
SCHEMBL27609049 0.70 LMNA (0.40) CYP2D6LMNAMEN1MAPTKMT2A
SCHEMBL28375356 0.68 CTRC (0.34) CYP2D6MEN1MAPTKMT2A
SCHEMBL28380000 0.66 GABRA1 (0.34) SIGMAR1GABRA1GABRB2

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