SCHEMBL9770393

SCHEMBL9770393

CC(=O)c1ccc(OCC(O)CSc2ccc(O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
LMNA P02545 2/20 0.64
POLB P06746 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
BACE1 P56817 1/20 0.62
ABCB1 P08183 4/20 0.50
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PPARD Q03181 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR7 P34969 1/20 0.45
USP2 O75604 1/20 0.44
MDM2 Q00987 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL9770570 0.87 BACE1 (0.76) MAPTLMNAPOLBNPSR1BACE1
SCHEMBL9770399 0.87 BACE1 (0.62) MAPTLMNAPOLBNPSR1BACE1
SCHEMBL9770430 0.85 BACE1 (0.57) MAPTLMNAPOLBNPSR1BACE1
SCHEMBL9770472 0.85 MAPT (0.58) MAPTLMNAPOLBNPSR1BACE1
SCHEMBL9770440 0.85 BACE1 (0.70) MAPTLMNABACE1ABCB1GAA
SCHEMBL9770562 0.83 BACE1 (0.67) MAPTLMNANPSR1BACE1SMN1; SMN2
SCHEMBL9770412 0.83 BACE1 (0.67) MAPTLMNAPOLBNPSR1BACE1
SCHEMBL9770149 0.83 BACE1 (0.67) MAPTPOLBBACE1GAAPTGS1
SCHEMBL9770401 0.81 BACE1 (0.67) LMNABACE1PPARDPTGS1SLC6A2
SCHEMBL9770369 0.81 BACE1 (0.67) MAPTBACE1GAASMN1; SMN2PPARD

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 3 patents. 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 claimed
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
EP-0338587-A2 Recording material KAO CORPORATION (JP) 1989-10-25 EP disclosed