SCHEMBL9770407

SCHEMBL9770407

CCC(=O)Oc1cccc(OCC(O)CSc2ccc(O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.52
ACHE P22303 1/20 0.42
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
PPARD Q03181 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9770526 0.84 BACE1 (0.52) BACE1PPARDKDM4E
SCHEMBL9770402 0.83 BACE1 (0.58) BACE1MAPK1TSHRHIF1ASMN1; SMN2
SCHEMBL9770438 0.83 TSHR (0.59) BACE1MAPK1TSHRHIF1AKDM4E
SCHEMBL9770403 0.82 BACE1 (0.58) BACE1MAPK1TSHRHIF1AKDM4E
SCHEMBL9770536 0.81 BACE1 (0.62) BACE1MAPK1TSHRHIF1AKDM4E
SCHEMBL9770232 0.80 BACE1 (0.64) BACE1MAPK1TSHRHIF1AKDM4E
SCHEMBL9770148 0.78 BACE1 (0.58) BACE1MAPK1TSHRHIF1AKDM4E
SCHEMBL9770455 0.78 BACE1 (0.58) BACE1MAPK1TSHRHIF1ASMN1; SMN2
SCHEMBL9480490 0.77 BACE1 (0.80) BACE1MAPK1TSHRHIF1AKDM4E
SCHEMBL9770389 0.77 BACE1 (0.64) BACE1GAAKMT2AHSD17B10

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