SCHEMBL4249338

SCHEMBL4249338

CCc1cc2c(c(-c3ccccc3)c1Cl)O2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
FABP4 P15090 2/20 0.35
FABP3 P05413 1/20 0.35
FABP5 Q01469 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TP53 P04637 1/20 0.32
TNKS O95271 1/20 0.32

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
SCHEMBL4259277 0.75 AHR (0.47) AHR
SCHEMBL11053617 0.72 ESR1 (0.44) FABP4FABP3FABP5MEN1KMT2A
SCHEMBL4249340 0.71 AHR (0.36) AHRKMT2A
SCHEMBL19766227 0.68 MAOA (0.38) AHRMEN1KMT2A
SCHEMBL27759679 0.66 MAPT (0.48) PTGS1PTGS2L3MBTL1TP53
SCHEMBL19766195 0.65 CYP1A2 (0.36) MEN1KMT2A
SCHEMBL23940766 0.62 ESR2 (0.47) L3MBTL1
SCHEMBL11353184 0.62 CYP1A2 (0.38) AHRPTGS2FABP4FABP3FABP5
SCHEMBL10519343 0.61 ALDH1A1 (0.54) CA1CA2PTGS2ADORA3MEN1
SCHEMBL10920153 0.61 PTGS1 (0.49) PTGS1PTGS2FABP4FABP3FABP5

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-20090053616-A1 HOLOGRAPHIC RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-02-26 US disclosed