SCHEMBL8662264

SCHEMBL8662264

COC(=O)c1cc2cc(OCC3COC(C)(C)O3)ccc2cc1O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.42
CA2 P00918 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL27456767 1.00 MAPK14 (0.42) MAPK14CA2MAOAMAOBCCNK
SCHEMBL26428754 0.89 MAPK14 (0.46) MAPK14CA2CCNKCDK12
SCHEMBL1587316 0.85 MAPK14 (0.44) MAPK14
SCHEMBL1587319 0.85 MAPK14 (0.44) MAPK14
SCHEMBL7768997 0.84 MAPK14 (0.41) MAPK14CA2CCNKCDK12JAK2
SCHEMBL7768526 0.84 MAPK14 (0.38) MAPK14CCNKCDK12JAK2NTRK1
SCHEMBL5467053 0.82 MAPK14 (0.44) MAPK14
SCHEMBL22056912 0.82 MAPK14 (0.50) MAPK14CA2CCNKCDK12
SCHEMBL1684530 0.79 RAB9A (0.45) MAPK14
SCHEMBL1684533 0.79 RAB9A (0.45) MAPK14

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-5830920-A PREVENTION GROWTH OF SMOOTH MUSCLE CELLS HOFFMANN-LA ROCHE INC. (US) 1998-11-03 US disclosed