SCHEMBL14367331

SCHEMBL14367331

COc1cc(OCc2ccc(C)cc2)ccc1C=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAOB P27338 11/20 0.56
MAOA P21397 4/20 0.56
TUBB1 Q9H4B7 2/20 0.56
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ERN1 O75460 1/20 0.46
ACHE P22303 1/20 0.45
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL5885604 0.91 ALDH1A1 (0.68) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL7149558 0.91 MAOB (0.58) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL31533148 0.87 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL31591495 0.87 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL435043 0.87 ALDH1A1 (0.61) ALDH1A1MAPTMAOBMAOATUBB1
SCHEMBL21370452 0.85 NPC1 (0.61) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL15474693 0.84 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL5290849 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL7146795 0.82 MAOB (0.58) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL25222497 0.82 TUBB1 (0.55) ALDH1A1LMNAMAPTHPGDTUBB1

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-7297796-B2 Sulfamoyl benzamide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-11-20 US disclosed