SCHEMBL9770526

SCHEMBL9770526

CCC(=O)c1cccc(OCC(O)CSc2ccc(O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.52
ABCB1 P08183 11/20 0.42
PPARD Q03181 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9770407 0.84 BACE1 (0.52) BACE1PPARDKDM4E
SCHEMBL9770536 0.81 BACE1 (0.62) BACE1KDM4E
SCHEMBL9770438 0.81 TSHR (0.59) BACE1KDM4E
SCHEMBL9770402 0.81 BACE1 (0.58) BACE1
SCHEMBL9770403 0.80 BACE1 (0.58) BACE1KDM4E
SCHEMBL9770148 0.78 BACE1 (0.58) BACE1KDM4E
SCHEMBL9770455 0.78 BACE1 (0.58) BACE1
SCHEMBL9770504 0.78 BACE1 (0.58) BACE1PPARD
SCHEMBL9480490 0.77 BACE1 (0.80) BACE1KDM4E
SCHEMBL9770389 0.77 BACE1 (0.64) BACE1

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