SCHEMBL9770559

SCHEMBL9770559

COC(=O)c1ccccc1OCC(O)CSc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.43
ABCB1 P08183 5/20 0.42
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9770436 0.80 BACE1 (0.53) BACE1
SCHEMBL9770237 0.80 KDM4E (0.57) BACE1MAPTNPSR1
SCHEMBL9770411 0.79 BACE1 (0.60) BACE1MAPT
SCHEMBL9770447 0.77 BACE1 (0.57) BACE1MAPTHTTNPSR1
SCHEMBL9770415 0.77 BACE1 (0.57) BACE1
SCHEMBL9770387 0.77 BACE1 (0.51) BACE1MAPT
SCHEMBL9770547 0.75 CYP1A2 (0.59) BACE1ABCB1MAPT
SCHEMBL9690575 0.75 TSHR (0.49) ABCB1MAPTHTTNPSR1
SCHEMBL9480490 0.74 BACE1 (0.80) BACE1L3MBTL1
SCHEMBL10842173 0.74 ADRB2 (0.68) ABCB1

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 4 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
EP-0338587-A2 Recording material KAO CORPORATION (JP) 1989-10-25 EP 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