SCHEMBL8036077

SCHEMBL8036077

CC([O])c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.47
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A4 P31645 1/20 0.41
ELANE P08246 1/20 0.36
PDE2A O00408 1/20 0.36
PPARA Q07869 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.33
KIF11 P52732 1/20 0.33
CNR1 P21554 4/20 0.33
CNR2 P34972 2/20 0.33
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL760472 0.82 ACACB (0.46) ACACBSLC6A2SLC6A3SLC6A4PDE2A
SCHEMBL1046493 0.81 PDE2A (0.54) ACACBSLC6A2SLC6A3SLC6A4PDE2A
SCHEMBL7855908 0.81 PDE2A (0.50) ACACBSLC6A2SLC6A3SLC6A4ELANE
SCHEMBL196277 0.79 ACACB (0.44) ACACBSLC6A2SLC6A3SLC6A4ELANE
SCHEMBL15869220 0.79 ACACB (0.44) ACACBSLC6A2SLC6A3SLC6A4ELANE
SCHEMBL15869207 0.79 ACACB (0.44) ACACBSLC6A2SLC6A3SLC6A4ELANE
SCHEMBL18412091 0.78 ACACB (0.44) ACACBSLC6A2SLC6A3SLC6A4ELANE
SCHEMBL2031199 0.78 SLC6A4 (0.53) ACACBSLC6A2SLC6A3SLC6A4ELANE
SCHEMBL15521572 0.78 ACACB (0.44) ACACBSLC6A2SLC6A3SLC6A4ELANE
SCHEMBL2034762 0.78 SLC6A4 (0.53) ACACBSLC6A2SLC6A3SLC6A4ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed