SCHEMBL8185702

SCHEMBL8185702

COC(=O)c1cccc2c1CC(C)(C)CC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.46
SLC6A3 Q01959 4/20 0.42
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
MITF O75030 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
MAPK10 P53779 1/20 0.41
KMT2A Q03164 1/20 0.41
PTK2B Q14289 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
SLC6A4 P31645 2/20 0.41
PDK2 Q15119 1/20 0.41

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
SCHEMBL8186132 0.84 KMT2A (0.49) MAPTTSHRHTTKMT2ASMN1; SMN2
SCHEMBL31305912 0.81 PTPRC (0.50) PTPRCSLC6A3MAPTTSHRMEN1
SCHEMBL7406575 0.81 PTPRC (0.50) PTPRCSLC6A3MAPTTSHRMEN1
SCHEMBL13728618 0.78 PTPRC (0.48) PTPRCSLC6A3MAPTTSHRMEN1
SCHEMBL5886388 0.78 PTPRC (0.48) PTPRCSLC6A3MAPTTSHRMEN1
SCHEMBL14178911 0.75 PTPRC (0.51) PTPRCSLC6A3MAPTTSHRMITF
SCHEMBL70284 0.73 MAPT (0.67) PTPRCSLC6A3MAPTTSHRMITF
SCHEMBL12764964 0.72 PIM1 (0.44) MAPTHTTNPSR1ALDH1A1HSD17B10
SCHEMBL12466684 0.72 MAP2K1 (0.41) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL8180609 0.71 DRD2 (0.44) SLC6A3MAPTTSHRMEN1KMT2A

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-6087399-A ANTIULCER AGENTS; CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 2000-07-11 US disclosed