SCHEMBL9770472

SCHEMBL9770472

CC(=O)c1ccc(OCC(O)CSc2cccc(O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
BACE1 P56817 1/20 0.48
ABCB1 P08183 4/20 0.46
HTR7 P34969 2/20 0.45
PPARD Q03181 1/20 0.44
MAOB P27338 5/20 0.44
MAOA P21397 1/20 0.43
USP2 O75604 1/20 0.43
MDM2 Q00987 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9770370 0.87 BACE1 (0.53) LMNABACE1ABCB1PPARDALDH1A1
SCHEMBL9770474 0.86 BACE1 (0.62) BACE1PPARD
SCHEMBL9770393 0.85 MAPT (0.64) MAPTLMNAPOLBNPSR1BACE1
SCHEMBL9770331 0.85 BACE1 (0.52) POLBBACE1PPARDALDH1A1
SCHEMBL9770507 0.85 BACE1 (0.52) LMNABACE1PPARD
SCHEMBL9770448 0.83 BACE1 (0.59) MAPTLMNABACE1PPARD
SCHEMBL9770497 0.83 NPC1 (0.57) MAPTBACE1PPARDALDH1A1
SCHEMBL9770535 0.81 BACE1 (0.57) MAPTLMNABACE1PPARDMAOB
SCHEMBL9770581 0.80 ALDH1A1 (0.48) MAPTLMNAPOLBBACE1ALDH1A1
SCHEMBL9770514 0.77 CA1 (0.45) LMNABACE1MAOBMAOAALDH1A1

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-5071822-A Electron donating colorless dye, electron accepting derivative of 1-(4-hydroxyphenylthio)-3-oxy-2-propanol; heat sensitive, image stability KAO CORPORATION (JP) 1991-12-10 US disclosed